2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole

C299H319N23 — CID 157430868

IUPAC2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole
SMILESCc1cc2c(cc1N1C=CN(C)[C@@H]1C)-c1c(ccc3ccccc13)C(C)(C)C2(C)C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)-c1c(ccc3ccccc13)C(C)(C)C2(C)C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)-c1cc3ncccc3cc1C(C)(C)C2(C)C.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2ccccc12.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)CCc1cc3ccccc3cc1-2.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2ccccc12.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2cccnc12.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)CCc1cc3ccccc3cc1-2.Cc1ccc2c3c(ccc2c1)-c1cc(N2c4ccccc4N(C)[C@@H]2C)c(C)cc1C(C)(C)C3(C)C.Cc1ccc2cc3c(cc2n1)-c1cc(N2c4ccccc4N(C)[C@@H]2C)c(C)cc1C(C)(C)C3(C)C
InChIInChI=1S/C33H36N2.C32H35N3.2C32H34N2.2C31H33N3.C28H26N2.2C28H32N2.C24H24N2/c1-20-13-15-24-23(17-20)14-16-25-26-19-30(35-22(3)34(8)28-11-9-10-12-29(28)35)21(2)18-27(26)32(4,5)33(6,7)31(24)25;1-19-15-25-24(18-30(19)35-21(3)34(8)28-11-9-10-12-29(28)35)23-17-27-22(14-13-20(2)33-27)16-26(23)32(6,7)31(25,4)5;1-20-16-18-25-24-19-17-22-12-8-9-13-23(22)28(24)31(3,4)32(5,6)29(25)30(20)34-21(2)33(7)26-14-10-11-15-27(26)34;1-20-18-26-24(19-29(20)34-21(2)33(7)27-14-10-11-15-28(27)34)30-23-13-9-8-12-22(23)16-17-25(30)31(3,4)32(26,5)6;1-19-14-16-23-22-17-15-21-11-10-18-32-28(21)26(22)30(3,4)31(5,6)27(23)29(19)34-20(2)33(7)24-12-8-9-13-25(24)34;1-19-15-24-23(18-29(19)34-20(2)33(7)27-12-8-9-13-28(27)34)22-17-26-21(11-10-14-32-26)16-25(22)31(5,6)30(24,3)4;1-18-12-14-23-24(15-13-22-16-20-8-4-5-9-21(20)17-25(22)23)28(18)30-19(2)29(3)26-10-6-7-11-27(26)30;1-18-12-14-23-22-15-13-20-10-8-9-11-21(20)24(22)27(3,4)28(5,6)25(23)26(18)30-17-16-29(7)19(30)2;1-18-16-24-22(17-25(18)30-15-14-29(7)19(30)2)26-21-11-9-8-10-20(21)12-13-23(26)27(3,4)28(24,5)6;1-16-8-10-21-22(24(16)26-13-12-25(3)17(26)2)11-9-20-14-18-6-4-5-7-19(18)15-23(20)21/h9-19,22H,1-8H3;9-18,21H,1-8H3;2*8-19,21H,1-7H3;2*8-18,20H,1-7H3;4-12,14,16-17,19H,13,15H2,1-3H3;2*8-17,19H,1-7H3;4-8,10,12-15,17H,9,11H2,1-3H3/t22-;3*21-;2*20-;3*19-;17-/m0000000000/s1
InChIKeyBQNBKHSPLMKPCO-WLUUOWGFSA-N
MW4235.00 g/mol
LogP74.95
Rot. Bonds10

About 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole

2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole (PubChem CID 157430868) has the molecular formula C299H319N23 and a molecular weight of 4235.00 g/mol. Its IUPAC name is 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole
PubChem CID157430868
Molecular FormulaC299H319N23
Molecular Weight4235.00 g/mol
Exact Mass4231.57
IUPAC Name2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole
SMILESCc1cc2c(cc1N1C=CN(C)[C@@H]1C)-c1c(ccc3ccccc13)C(C)(C)C2(C)C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)-c1c(ccc3ccccc13)C(C)(C)C2(C)C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)-c1cc3ncccc3cc1C(C)(C)C2(C)C.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2ccccc12.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)CCc1cc3ccccc3cc1-2.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2ccccc12.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2cccnc12.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)CCc1cc3ccccc3cc1-2.Cc1ccc2c3c(ccc2c1)-c1cc(N2c4ccccc4N(C)[C@@H]2C)c(C)cc1C(C)(C)C3(C)C.Cc1ccc2cc3c(cc2n1)-c1cc(N2c4ccccc4N(C)[C@@H]2C)c(C)cc1C(C)(C)C3(C)C
InChIInChI=1S/C33H36N2.C32H35N3.2C32H34N2.2C31H33N3.C28H26N2.2C28H32N2.C24H24N2/c1-20-13-15-24-23(17-20)14-16-25-26-19-30(35-22(3)34(8)28-11-9-10-12-29(28)35)21(2)18-27(26)32(4,5)33(6,7)31(24)25;1-19-15-25-24(18-30(19)35-21(3)34(8)28-11-9-10-12-29(28)35)23-17-27-22(14-13-20(2)33-27)16-26(23)32(6,7)31(25,4)5;1-20-16-18-25-24-19-17-22-12-8-9-13-23(22)28(24)31(3,4)32(5,6)29(25)30(20)34-21(2)33(7)26-14-10-11-15-27(26)34;1-20-18-26-24(19-29(20)34-21(2)33(7)27-14-10-11-15-28(27)34)30-23-13-9-8-12-22(23)16-17-25(30)31(3,4)32(26,5)6;1-19-14-16-23-22-17-15-21-11-10-18-32-28(21)26(22)30(3,4)31(5,6)27(23)29(19)34-20(2)33(7)24-12-8-9-13-25(24)34;1-19-15-24-23(18-29(19)34-20(2)33(7)27-12-8-9-13-28(27)34)22-17-26-21(11-10-14-32-26)16-25(22)31(5,6)30(24,3)4;1-18-12-14-23-24(15-13-22-16-20-8-4-5-9-21(20)17-25(22)23)28(18)30-19(2)29(3)26-10-6-7-11-27(26)30;1-18-12-14-23-22-15-13-20-10-8-9-11-21(20)24(22)27(3,4)28(5,6)25(23)26(18)30-17-16-29(7)19(30)2;1-18-16-24-22(17-25(18)30-15-14-29(7)19(30)2)26-21-11-9-8-10-20(21)12-13-23(26)27(3,4)28(24,5)6;1-16-8-10-21-22(24(16)26-13-12-25(3)17(26)2)11-9-20-14-18-6-4-5-7-19(18)15-23(20)21/h9-19,22H,1-8H3;9-18,21H,1-8H3;2*8-19,21H,1-7H3;2*8-18,20H,1-7H3;4-12,14,16-17,19H,13,15H2,1-3H3;2*8-17,19H,1-7H3;4-8,10,12-15,17H,9,11H2,1-3H3/t22-;3*21-;2*20-;3*19-;17-/m0000000000/s1
InChIKeyBQNBKHSPLMKPCO-WLUUOWGFSA-N
XLogP74.95
TPSA103.47 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004235.00
LogP ≤ 574.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole?
The IUPAC name of 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole (CID 157430868) is 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole.
What is the SMILES notation for 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole?
The canonical SMILES for 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole is Cc1cc2c(cc1N1C=CN(C)[C@@H]1C)-c1c(ccc3ccccc13)C(C)(C)C2(C)C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)-c1c(ccc3ccccc13)C(C)(C)C2(C)C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)-c1cc3ncccc3cc1C(C)(C)C2(C)C.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2ccccc12.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)CCc1cc3ccccc3cc1-2.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2ccccc12.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)C(C)(C)C(C)(C)c1c-2ccc2cccnc12.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)CCc1cc3ccccc3cc1-2.Cc1ccc2c3c(ccc2c1)-c1cc(N2c4ccccc4N(C)[C@@H]2C)c(C)cc1C(C)(C)C3(C)C.Cc1ccc2cc3c(cc2n1)-c1cc(N2c4ccccc4N(C)[C@@H]2C)c(C)cc1C(C)(C)C3(C)C.
What is the InChIKey of 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole?
The InChIKey is BQNBKHSPLMKPCO-WLUUOWGFSA-N. The full InChI is InChI=1S/C33H36N2.C32H35N3.2C32H34N2.2C31H33N3.C28H26N2.2C28H32N2.C24H24N2/c1-20-13-15-24-23(17-20)14-16-25-26-19-30(35-22(3)34(8)28-11-9-10-12-29(28)35)21(2)18-27(26)32(4,5)33(6,7)31(24)25;1-19-15-25-24(18-30(19)35-21(3)34(8)28-11-9-10-12-29(28)35)23-17-27-22(14-13-20(2)33-27)16-26(23)32(6,7)31(25,4)5;1-20-16-18-25-24-19-17-22-12-8-9-13-23(22)28(24)31(3,4)32(5,6)29(25)30(20)34-21(2)33(7)26-14-10-11-15-27(26)34;1-20-18-26-24(19-29(20)34-21(2)33(7)27-14-10-11-15-28(27)34)30-23-13-9-8-12-22(23)16-17-25(30)31(3,4)32(26,5)6;1-19-14-16-23-22-17-15-21-11-10-18-32-28(21)26(22)30(3,4)31(5,6)27(23)29(19)34-20(2)33(7)24-12-8-9-13-25(24)34;1-19-15-24-23(18-29(19)34-20(2)33(7)27-12-8-9-13-28(27)34)22-17-26-21(11-10-14-32-26)16-25(22)31(5,6)30(24,3)4;1-18-12-14-23-24(15-13-22-16-20-8-4-5-9-21(20)17-25(22)23)28(18)30-19(2)29(3)26-10-6-7-11-27(26)30;1-18-12-14-23-22-15-13-20-10-8-9-11-21(20)24(22)27(3,4)28(5,6)25(23)26(18)30-17-16-29(7)19(30)2;1-18-16-24-22(17-25(18)30-15-14-29(7)19(30)2)26-21-11-9-8-10-20(21)12-13-23(26)27(3,4)28(24,5)6;1-16-8-10-21-22(24(16)26-13-12-25(3)17(26)2)11-9-20-14-18-6-4-5-7-19(18)15-23(20)21/h9-19,22H,1-8H3;9-18,21H,1-8H3;2*8-19,21H,1-7H3;2*8-18,20H,1-7H3;4-12,14,16-17,19H,13,15H2,1-3H3;2*8-17,19H,1-7H3;4-8,10,12-15,17H,9,11H2,1-3H3/t22-;3*21-;2*20-;3*19-;17-/m0000000000/s1.
What are the key properties of 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole?
2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole has a molecular weight of 4235.00 g/mol, XLogP of 74.95, 10 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6,10-hexamethylnaphtho[2,1-g]quinoline;2-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3,5,5,6,6-pentamethylnaphtho[2,1-g]quinoline;7-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-5,5,6,6,8-pentamethylnaphtho[1,2-h]quinoline;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3-methyl-5,6-dihydrobenzo[a]anthracen-4-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(3,5,5,6,6-pentamethylbenzo[c]phenanthren-2-yl)-2H-imidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2,11,11,12,12-pentamethylchrysen-1-yl)-2H-imidazole;(2S)-1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2,3-dimethyl-2H-benzimidazole is sourced from PubChem (CID 157430868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).