1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole

C130H130N14O11 — CID 159608121

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCC1(C)Cc2cc3ncn(Cc4ccc5c(c4)CC[C@@H]5O)c3cc2C1.CC1(C)Cc2cc3ncn(Cc4ccc5c(c4)OCO5)c3cc2C1.COc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1.Cc1cc2ncn(Cc3ccc(O)c(C)c3)c2cc1C.Cc1cc2ncn(Cc3ccc4c(c3)OCO4)c2cc1C.c1cc2c(cc1Cn1cnc3cc4c(cc31)CCC4)OCO2.c1cc2c(cc1Cn1cnc3cc4c(cc31)CCCC4)OCO2
InChIInChI=1S/C22H24N2O.C20H20N2O2.C19H18N2O2.C18H16N2O2.C17H16N2O2.2C17H18N2O/c1-22(2)10-16-8-19-20(9-17(16)11-22)24(13-23-19)12-14-3-5-18-15(7-14)4-6-21(18)25;1-20(2)8-14-6-16-17(7-15(14)9-20)22(11-21-16)10-13-3-4-18-19(5-13)24-12-23-18;1-2-4-15-9-17-16(8-14(15)3-1)20-11-21(17)10-13-5-6-18-19(7-13)23-12-22-18;1-2-13-7-15-16(8-14(13)3-1)20(10-19-15)9-12-4-5-17-18(6-12)22-11-21-17;1-11-5-14-15(6-12(11)2)19(9-18-14)8-13-3-4-16-17(7-13)21-10-20-16;1-12-8-16-17(9-13(12)2)19(11-18-16)10-14-4-6-15(20-3)7-5-14;1-11-7-15-16(8-12(11)2)19(10-18-15)9-14-4-5-17(20)13(3)6-14/h3,5,7-9,13,21,25H,4,6,10-12H2,1-2H3;3-7,11H,8-10,12H2,1-2H3;5-9,11H,1-4,10,12H2;4-8,10H,1-3,9,11H2;3-7,9H,8,10H2,1-2H3;4-9,11H,10H2,1-3H3;4-8,10,20H,9H2,1-3H3/t21-;;;;;;/m0....../s1
InChIKeyMMIIKBJNWKDUHC-FXULVREGSA-N
MW2064.56 g/mol
LogP25.98
Rot. Bonds15

About 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole

1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 159608121) has the molecular formula C130H130N14O11 and a molecular weight of 2064.56 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID159608121
Molecular FormulaC130H130N14O11
Molecular Weight2064.56 g/mol
Exact Mass2063.00
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCC1(C)Cc2cc3ncn(Cc4ccc5c(c4)CC[C@@H]5O)c3cc2C1.CC1(C)Cc2cc3ncn(Cc4ccc5c(c4)OCO5)c3cc2C1.COc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1.Cc1cc2ncn(Cc3ccc(O)c(C)c3)c2cc1C.Cc1cc2ncn(Cc3ccc4c(c3)OCO4)c2cc1C.c1cc2c(cc1Cn1cnc3cc4c(cc31)CCC4)OCO2.c1cc2c(cc1Cn1cnc3cc4c(cc31)CCCC4)OCO2
InChIInChI=1S/C22H24N2O.C20H20N2O2.C19H18N2O2.C18H16N2O2.C17H16N2O2.2C17H18N2O/c1-22(2)10-16-8-19-20(9-17(16)11-22)24(13-23-19)12-14-3-5-18-15(7-14)4-6-21(18)25;1-20(2)8-14-6-16-17(7-15(14)9-20)22(11-21-16)10-13-3-4-18-19(5-13)24-12-23-18;1-2-4-15-9-17-16(8-14(15)3-1)20-11-21(17)10-13-5-6-18-19(7-13)23-12-22-18;1-2-13-7-15-16(8-14(13)3-1)20(10-19-15)9-12-4-5-17-18(6-12)22-11-21-17;1-11-5-14-15(6-12(11)2)19(9-18-14)8-13-3-4-16-17(7-13)21-10-20-16;1-12-8-16-17(9-13(12)2)19(11-18-16)10-14-4-6-15(20-3)7-5-14;1-11-7-15-16(8-12(11)2)19(10-18-15)9-14-4-5-17(20)13(3)6-14/h3,5,7-9,13,21,25H,4,6,10-12H2,1-2H3;3-7,11H,8-10,12H2,1-2H3;5-9,11H,1-4,10,12H2;4-8,10H,1-3,9,11H2;3-7,9H,8,10H2,1-2H3;4-9,11H,10H2,1-3H3;4-8,10,20H,9H2,1-3H3/t21-;;;;;;/m0....../s1
InChIKeyMMIIKBJNWKDUHC-FXULVREGSA-N
XLogP25.98
TPSA248.27 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.56
LogP ≤ 525.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole (CID 159608121) is 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole is CC1(C)Cc2cc3ncn(Cc4ccc5c(c4)CC[C@@H]5O)c3cc2C1.CC1(C)Cc2cc3ncn(Cc4ccc5c(c4)OCO5)c3cc2C1.COc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1.Cc1cc2ncn(Cc3ccc(O)c(C)c3)c2cc1C.Cc1cc2ncn(Cc3ccc4c(c3)OCO4)c2cc1C.c1cc2c(cc1Cn1cnc3cc4c(cc31)CCC4)OCO2.c1cc2c(cc1Cn1cnc3cc4c(cc31)CCCC4)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is MMIIKBJNWKDUHC-FXULVREGSA-N. The full InChI is InChI=1S/C22H24N2O.C20H20N2O2.C19H18N2O2.C18H16N2O2.C17H16N2O2.2C17H18N2O/c1-22(2)10-16-8-19-20(9-17(16)11-22)24(13-23-19)12-14-3-5-18-15(7-14)4-6-21(18)25;1-20(2)8-14-6-16-17(7-15(14)9-20)22(11-21-16)10-13-3-4-18-19(5-13)24-12-23-18;1-2-4-15-9-17-16(8-14(15)3-1)20-11-21(17)10-13-5-6-18-19(7-13)23-12-22-18;1-2-13-7-15-16(8-14(13)3-1)20(10-19-15)9-12-4-5-17-18(6-12)22-11-21-17;1-11-5-14-15(6-12(11)2)19(9-18-14)8-13-3-4-16-17(7-13)21-10-20-16;1-12-8-16-17(9-13(12)2)19(11-18-16)10-14-4-6-15(20-3)7-5-14;1-11-7-15-16(8-12(11)2)19(10-18-15)9-14-4-5-17(20)13(3)6-14/h3,5,7-9,13,21,25H,4,6,10-12H2,1-2H3;3-7,11H,8-10,12H2,1-2H3;5-9,11H,1-4,10,12H2;4-8,10H,1-3,9,11H2;3-7,9H,8,10H2,1-2H3;4-9,11H,10H2,1-3H3;4-8,10,20H,9H2,1-3H3/t21-;;;;;;/m0....../s1.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole?
1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 2064.56 g/mol, XLogP of 25.98, 15 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-5,6-dimethylbenzimidazole;1-(1,3-benzodioxol-5-ylmethyl)-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydrobenzo[f]benzimidazole;4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-2-methylphenol;(1S)-5-[(6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazol-1-yl)methyl]-2,3-dihydro-1H-inden-1-ol;1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 159608121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).