1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole

C17H21ClN2 — CID 18878714

IUPAC1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole
SMILESClC1CC1Cn1c(C2CCCCC2)nc2ccccc21
InChIInChI=1S/C17H21ClN2/c18-14-10-13(14)11-20-16-9-5-4-8-15(16)19-17(20)12-6-2-1-3-7-12/h4-5,8-9,12-14H,1-3,6-7,10-11H2
InChIKeyFLMKNVHPICQFRR-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.71
Rot. Bonds3

About 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole

1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole (PubChem CID 18878714) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole.

Molecular Properties

Compound Name1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole
PubChem CID18878714
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole
SMILESClC1CC1Cn1c(C2CCCCC2)nc2ccccc21
InChIInChI=1S/C17H21ClN2/c18-14-10-13(14)11-20-16-9-5-4-8-15(16)19-17(20)12-6-2-1-3-7-12/h4-5,8-9,12-14H,1-3,6-7,10-11H2
InChIKeyFLMKNVHPICQFRR-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.71
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

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CID 82150076
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CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
2-cyclohexyl-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16996610
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
CID 145335496
1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 94747736
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole?
The IUPAC name of 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole (CID 18878714) is 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole.
What is the SMILES notation for 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole?
The canonical SMILES for 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole is ClC1CC1Cn1c(C2CCCCC2)nc2ccccc21.
What is the InChIKey of 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole?
The InChIKey is FLMKNVHPICQFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c18-14-10-13(14)11-20-16-9-5-4-8-15(16)19-17(20)12-6-2-1-3-7-12/h4-5,8-9,12-14H,1-3,6-7,10-11H2.
What are the key properties of 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole?
1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole has a molecular weight of 288.82 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole is sourced from PubChem (CID 18878714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).