4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C120H117N15O7 — CID 160551624

IUPAC4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(OC)cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)cc(C)c1C.Cc1cccc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2ccccc2Cc2ccccc2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C28H25N3O.C24H25N3O.C23H23N3O3.C23H23N3O.C22H21N3O/c1-17-26(18(2)32-31-17)22-15-24(27-25(16-22)29-28(30-27)20-12-13-20)23-11-7-6-10-21(23)14-19-8-4-3-5-9-19;1-12-8-18(9-13(2)14(12)3)20-10-19(22-15(4)27-28-16(22)5)11-21-23(20)26-24(25-21)17-6-7-17;1-12-21(13(2)29-26-12)16-9-19(15-7-17(27-3)11-18(8-15)28-4)22-20(10-16)24-23(25-22)14-5-6-14;1-12-6-5-7-13(2)20(12)18-10-17(21-14(3)26-27-15(21)4)11-19-22(18)25-23(24-19)16-8-9-16;1-12-6-4-5-7-17(12)18-10-16(20-13(2)25-26-14(20)3)11-19-21(18)24-22(23-19)15-8-9-15/h3-11,15-16,20H,12-14H2,1-2H3,(H,29,30);8-11,17H,6-7H2,1-5H3,(H,25,26);7-11,14H,5-6H2,1-4H3,(H,24,25);5-7,10-11,16H,8-9H2,1-4H3,(H,24,25);4-7,10-11,15H,8-9H2,1-3H3,(H,23,24)
InChIKeyQYDNLZDBXVSMLA-UHFFFAOYSA-N
MW1881.35 g/mol
LogP30.35
Rot. Bonds19

About 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 160551624) has the molecular formula C120H117N15O7 and a molecular weight of 1881.35 g/mol. Its IUPAC name is 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID160551624
Molecular FormulaC120H117N15O7
Molecular Weight1881.35 g/mol
Exact Mass1879.93
IUPAC Name4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(OC)cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)cc(C)c1C.Cc1cccc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2ccccc2Cc2ccccc2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C28H25N3O.C24H25N3O.C23H23N3O3.C23H23N3O.C22H21N3O/c1-17-26(18(2)32-31-17)22-15-24(27-25(16-22)29-28(30-27)20-12-13-20)23-11-7-6-10-21(23)14-19-8-4-3-5-9-19;1-12-8-18(9-13(2)14(12)3)20-10-19(22-15(4)27-28-16(22)5)11-21-23(20)26-24(25-21)17-6-7-17;1-12-21(13(2)29-26-12)16-9-19(15-7-17(27-3)11-18(8-15)28-4)22-20(10-16)24-23(25-22)14-5-6-14;1-12-6-5-7-13(2)20(12)18-10-17(21-14(3)26-27-15(21)4)11-19-22(18)25-23(24-19)16-8-9-16;1-12-6-4-5-7-17(12)18-10-16(20-13(2)25-26-14(20)3)11-19-21(18)24-22(23-19)15-8-9-15/h3-11,15-16,20H,12-14H2,1-2H3,(H,29,30);8-11,17H,6-7H2,1-5H3,(H,25,26);7-11,14H,5-6H2,1-4H3,(H,24,25);5-7,10-11,16H,8-9H2,1-4H3,(H,24,25);4-7,10-11,15H,8-9H2,1-3H3,(H,23,24)
InChIKeyQYDNLZDBXVSMLA-UHFFFAOYSA-N
XLogP30.35
TPSA292.01 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.35
LogP ≤ 530.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282010
4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744361
4-[2-cyclopropyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-amine;4-[2-cyclopropyl-7-(2-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 161413176
5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one
CID 158763108
CID 159367437
CID 159367437
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol
CID 86281214
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol
CID 86281212
2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol
CID 144744305
4-[2-cyclopropyl-7-[1-[4-(difluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 123861453
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
(4-aminophenyl)-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 140922108
4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 159215852

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 160551624) is 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is COc1cc(OC)cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1.Cc1cc(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)cc(C)c1C.Cc1cccc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2ccccc2Cc2ccccc2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is QYDNLZDBXVSMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O.C24H25N3O.C23H23N3O3.C23H23N3O.C22H21N3O/c1-17-26(18(2)32-31-17)22-15-24(27-25(16-22)29-28(30-27)20-12-13-20)23-11-7-6-10-21(23)14-19-8-4-3-5-9-19;1-12-8-18(9-13(2)14(12)3)20-10-19(22-15(4)27-28-16(22)5)11-21-23(20)26-24(25-21)17-6-7-17;1-12-21(13(2)29-26-12)16-9-19(15-7-17(27-3)11-18(8-15)28-4)22-20(10-16)24-23(25-22)14-5-6-14;1-12-6-5-7-13(2)20(12)18-10-17(21-14(3)26-27-15(21)4)11-19-22(18)25-23(24-19)16-8-9-16;1-12-6-4-5-7-17(12)18-10-16(20-13(2)25-26-14(20)3)11-19-21(18)24-22(23-19)15-8-9-15/h3-11,15-16,20H,12-14H2,1-2H3,(H,29,30);8-11,17H,6-7H2,1-5H3,(H,25,26);7-11,14H,5-6H2,1-4H3,(H,24,25);5-7,10-11,16H,8-9H2,1-4H3,(H,24,25);4-7,10-11,15H,8-9H2,1-3H3,(H,23,24).
What are the key properties of 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1881.35 g/mol, XLogP of 30.35, 19 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,5-dimethoxyphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(3,4,5-trimethylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 160551624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).