1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole

C18H17ClN2 — CID 90769380

IUPAC1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole
SMILESC=Cc1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2/c1-4-18-20-16-9-12(2)13(3)10-17(16)21(18)11-14-5-7-15(19)8-6-14/h4-10H,1,11H2,2-3H3
InChIKeyFBIBVKAAHDEXAA-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.00
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole

1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole (PubChem CID 90769380) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole
PubChem CID90769380
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole
SMILESC=Cc1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2/c1-4-18-20-16-9-12(2)13(3)10-17(16)21(18)11-14-5-7-15(19)8-6-14/h4-10H,1,11H2,2-3H3
InChIKeyFBIBVKAAHDEXAA-UHFFFAOYSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-(3-methylfuran-2-yl)ethenyl]benzimidazole
CID 70852879
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-pyridin-2-ylethenyl]benzimidazole
CID 70852732
4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172275
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
(E)-N-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1-(5-nitrofuran-2-yl)methanimine
CID 15034565
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 70936710
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole
CID 70852725
[(2R)-1-[(1R)-1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]ethyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 160679136
1-[(3-fluorophenyl)methyl]-5,6-dimethyl-2-[(E)-2-phenylethenyl]benzimidazole
CID 6183360
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole (CID 90769380) is 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole is C=Cc1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole?
The InChIKey is FBIBVKAAHDEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-4-18-20-16-9-12(2)13(3)10-17(16)21(18)11-14-5-7-15(19)8-6-14/h4-10H,1,11H2,2-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole?
1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole has a molecular weight of 296.80 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-ethenyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 90769380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).