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

C16H21ClN2 — CID 43666518

IUPAC2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2C1CCCCC1
InChIInChI=1S/C16H21ClN2/c1-12-7-8-15-14(11-12)18-16(9-10-17)19(15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyLEHQCOLEULRWEA-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.63
Rot. Bonds3

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

2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole (PubChem CID 43666518) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
PubChem CID43666518
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCCl)n2C1CCCCC1
InChIInChI=1S/C16H21ClN2/c1-12-7-8-15-14(11-12)18-16(9-10-17)19(15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyLEHQCOLEULRWEA-UHFFFAOYSA-N
XLogP4.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.63
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-cycloheptyl-5-methylbenzimidazole
CID 43667427
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
5-[2-(2-chloroethyl)-5-methylbenzimidazol-1-yl]-1-methylpiperidin-2-one
CID 64667815
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole (CID 43666518) is 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCCl)n2C1CCCCC1.
What is the InChIKey of 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole?
The InChIKey is LEHQCOLEULRWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-12-7-8-15-14(11-12)18-16(9-10-17)19(15)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole?
2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole has a molecular weight of 276.81 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-cyclohexyl-5-methylbenzimidazole is sourced from PubChem (CID 43666518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).