2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole

C16H21ClN2 — CID 43666622

IUPAC2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
SMILESCC1CCC(n2c(CCCl)nc3ccccc32)CC1
InChIInChI=1S/C16H21ClN2/c1-12-6-8-13(9-7-12)19-15-5-3-2-4-14(15)18-16(19)10-11-17/h2-5,12-13H,6-11H2,1H3
InChIKeyIIGJRUDTWCEUEF-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.57
Rot. Bonds3

About 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole

2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole (PubChem CID 43666622) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
PubChem CID43666622
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
SMILESCC1CCC(n2c(CCCl)nc3ccccc32)CC1
InChIInChI=1S/C16H21ClN2/c1-12-6-8-13(9-7-12)19-15-5-3-2-4-14(15)18-16(19)10-11-17/h2-5,12-13H,6-11H2,1H3
InChIKeyIIGJRUDTWCEUEF-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole (CID 43666622) is 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole is CC1CCC(n2c(CCCl)nc3ccccc32)CC1.
What is the InChIKey of 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole?
The InChIKey is IIGJRUDTWCEUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-12-6-8-13(9-7-12)19-15-5-3-2-4-14(15)18-16(19)10-11-17/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole?
2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole has a molecular weight of 276.81 g/mol, XLogP of 4.57, 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-(4-methylcyclohexyl)benzimidazole is sourced from PubChem (CID 43666622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).