2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole

C18H25ClN2 — CID 115553467

IUPAC2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole
SMILESCc1cccc2nc(CCCl)n(CC3CCC(C)CC3)c12
InChIInChI=1S/C18H25ClN2/c1-13-6-8-15(9-7-13)12-21-17(10-11-19)20-16-5-3-4-14(2)18(16)21/h3-5,13,15H,6-12H2,1-2H3
InChIKeyGGGYUIFTTIJMJN-UHFFFAOYSA-N
MW304.87 g/mol
LogP4.95
Rot. Bonds4

About 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole

2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole (PubChem CID 115553467) has the molecular formula C18H25ClN2 and a molecular weight of 304.87 g/mol. Its IUPAC name is 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole
PubChem CID115553467
Molecular FormulaC18H25ClN2
Molecular Weight304.87 g/mol
Exact Mass304.17
IUPAC Name2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole
SMILESCc1cccc2nc(CCCl)n(CC3CCC(C)CC3)c12
InChIInChI=1S/C18H25ClN2/c1-13-6-8-15(9-7-13)12-21-17(10-11-19)20-16-5-3-4-14(2)18(16)21/h3-5,13,15H,6-12H2,1-2H3
InChIKeyGGGYUIFTTIJMJN-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.87
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-7-methyl-1-[(1-methylpiperidin-3-yl)methyl]benzimidazole
CID 115553277
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 115552971
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
5-[[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]methyl]pyrrolidin-2-one
CID 115553574
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681
2-(2-chloroethyl)-1-(3-ethoxypropyl)-7-methylbenzimidazole
CID 115552740
2-(2-chloroethyl)-7-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 115553530
6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 112741073
2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
3-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 115552736
2-(2-chloroethyl)-7-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115553484

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole (CID 115553467) is 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole is Cc1cccc2nc(CCCl)n(CC3CCC(C)CC3)c12.
What is the InChIKey of 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole?
The InChIKey is GGGYUIFTTIJMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c1-13-6-8-15(9-7-13)12-21-17(10-11-19)20-16-5-3-4-14(2)18(16)21/h3-5,13,15H,6-12H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole?
2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole has a molecular weight of 304.87 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole is sourced from PubChem (CID 115553467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).