2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole

C17H23ClN2 — CID 43667524

IUPAC2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2CC1CCCCC1
InChIInChI=1S/C17H23ClN2/c1-13-7-8-16-15(11-13)19-17(9-10-18)20(16)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyWSLUFDBRIVBNNH-UHFFFAOYSA-N
MW290.84 g/mol
LogP4.71
Rot. Bonds4

About 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole

2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole (PubChem CID 43667524) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
PubChem CID43667524
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2CC1CCCCC1
InChIInChI=1S/C17H23ClN2/c1-13-7-8-16-15(11-13)19-17(9-10-18)20(16)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyWSLUFDBRIVBNNH-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
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

2-(2-chloroethyl)-1-(cyclopropylmethyl)-5-methylbenzimidazole
CID 43666106
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
2-(2-chloroethyl)-5-methyl-1-[(2-methylcyclopropyl)methyl]benzimidazole
CID 113463978
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
CID 43666518
2-(2-chloroethyl)-1-cycloheptyl-5-methylbenzimidazole
CID 43667427
1-(cyclopentylmethyl)-5-methylbenzimidazol-2-amine
CID 43662072
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
2-(chloromethyl)-5-methyl-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585735
2-(2-chloroethyl)-1-(2-cyclohexylethyl)-5-iodobenzimidazole
CID 66080253

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole (CID 43667524) is 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2CC1CCCCC1.
What is the InChIKey of 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole?
The InChIKey is WSLUFDBRIVBNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-13-7-8-16-15(11-13)19-17(9-10-18)20(16)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole?
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole has a molecular weight of 290.84 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole is sourced from PubChem (CID 43667524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).