1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole

C119H132N12O8 — CID 158502374

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
SMILESCOc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CC(C)(C)C4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CC(C)(C)C4)cc1OC.COc1ccc(Cn2cnc3cc4c(cc32)CCC4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1OC
InChIInChI=1S/C21H24N2O2.C21H24N2O.C20H22N2O2.C20H22N2O.C19H20N2O.C18H20N2O/c1-21(2)10-15-8-17-18(9-16(15)11-21)23(13-22-17)12-14-5-6-19(24-3)20(7-14)25-4;1-14-7-15(5-6-20(14)24-4)12-23-13-22-18-8-16-10-21(2,3)11-17(16)9-19(18)23;1-23-19-8-7-14(9-20(19)24-2)12-22-13-21-17-10-15-5-3-4-6-16(15)11-18(17)22;1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22;1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21;1-12-8-16-17(9-13(12)2)20(11-19-16)10-15-5-6-18(21-4)14(3)7-15/h5-9,13H,10-12H2,1-4H3;5-9,13H,10-12H2,1-4H3;7-11,13H,3-6,12H2,1-2H3;7-11,13H,3-6,12H2,1-2H3;6-10,12H,3-5,11H2,1-2H3;5-9,11H,10H2,1-4H3
InChIKeyHKAXAHRWZAEMJP-UHFFFAOYSA-N
MW1858.44 g/mol
LogP24.92
Rot. Bonds20

About 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole

1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole (PubChem CID 158502374) has the molecular formula C119H132N12O8 and a molecular weight of 1858.44 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
PubChem CID158502374
Molecular FormulaC119H132N12O8
Molecular Weight1858.44 g/mol
Exact Mass1857.03
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole
SMILESCOc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CC(C)(C)C4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CC(C)(C)C4)cc1OC.COc1ccc(Cn2cnc3cc4c(cc32)CCC4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1OC
InChIInChI=1S/C21H24N2O2.C21H24N2O.C20H22N2O2.C20H22N2O.C19H20N2O.C18H20N2O/c1-21(2)10-15-8-17-18(9-16(15)11-21)23(13-22-17)12-14-5-6-19(24-3)20(7-14)25-4;1-14-7-15(5-6-20(14)24-4)12-23-13-22-18-8-16-10-21(2,3)11-17(16)9-19(18)23;1-23-19-8-7-14(9-20(19)24-2)12-22-13-21-17-10-15-5-3-4-6-16(15)11-18(17)22;1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22;1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21;1-12-8-16-17(9-13(12)2)20(11-19-16)10-15-5-6-18(21-4)14(3)7-15/h5-9,13H,10-12H2,1-4H3;5-9,13H,10-12H2,1-4H3;7-11,13H,3-6,12H2,1-2H3;7-11,13H,3-6,12H2,1-2H3;6-10,12H,3-5,11H2,1-2H3;5-9,11H,10H2,1-4H3
InChIKeyHKAXAHRWZAEMJP-UHFFFAOYSA-N
XLogP24.92
TPSA180.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.44
LogP ≤ 524.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole (CID 158502374) is 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole is COc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CC(C)(C)C4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CC(C)(C)C4)cc1OC.COc1ccc(Cn2cnc3cc4c(cc32)CCC4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1C.COc1ccc(Cn2cnc3cc4c(cc32)CCCC4)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
The InChIKey is HKAXAHRWZAEMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.C21H24N2O.C20H22N2O2.C20H22N2O.C19H20N2O.C18H20N2O/c1-21(2)10-15-8-17-18(9-16(15)11-21)23(13-22-17)12-14-5-6-19(24-3)20(7-14)25-4;1-14-7-15(5-6-20(14)24-4)12-23-13-22-18-8-16-10-21(2,3)11-17(16)9-19(18)23;1-23-19-8-7-14(9-20(19)24-2)12-22-13-21-17-10-15-5-3-4-6-16(15)11-18(17)22;1-14-9-15(7-8-20(14)23-2)12-22-13-21-18-10-16-5-3-4-6-17(16)11-19(18)22;1-13-8-14(6-7-19(13)22-2)11-21-12-20-17-9-15-4-3-5-16(15)10-18(17)21;1-12-8-16-17(9-13(12)2)20(11-19-16)10-15-5-6-18(21-4)14(3)7-15/h5-9,13H,10-12H2,1-4H3;5-9,13H,10-12H2,1-4H3;7-11,13H,3-6,12H2,1-2H3;7-11,13H,3-6,12H2,1-2H3;6-10,12H,3-5,11H2,1-2H3;5-9,11H,10H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole?
1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole has a molecular weight of 1858.44 g/mol, XLogP of 24.92, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-5,6-dimethylbenzimidazole;1-[(4-methoxy-3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole is sourced from PubChem (CID 158502374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).