7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole

C16H20Cl2N2 — CID 43667498

IUPAC7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
SMILESCC1CCCC(n2c(CCCl)nc3cccc(Cl)c32)C1
InChIInChI=1S/C16H20Cl2N2/c1-11-4-2-5-12(10-11)20-15(8-9-17)19-14-7-3-6-13(18)16(14)20/h3,6-7,11-12H,2,4-5,8-10H2,1H3
InChIKeyRAKMOHFLSNSDFZ-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.22
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole (PubChem CID 43667498) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
PubChem CID43667498
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
SMILESCC1CCCC(n2c(CCCl)nc3cccc(Cl)c32)C1
InChIInChI=1S/C16H20Cl2N2/c1-11-4-2-5-12(10-11)20-15(8-9-17)19-14-7-3-6-13(18)16(14)20/h3,6-7,11-12H,2,4-5,8-10H2,1H3
InChIKeyRAKMOHFLSNSDFZ-UHFFFAOYSA-N
XLogP5.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.22
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

5-bromo-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667494
7-chloro-2-(2-chloroethyl)-1-(3-methylcyclobutyl)imidazo[4,5-c]pyridine
CID 114286247
7-chloro-2-(2-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
CID 80715804
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
2-(2-chloroethyl)-7-methyl-1-(oxan-4-yl)benzimidazole
CID 113334033
2-(2-chloroethyl)-1-(1-ethylpiperidin-3-yl)-7-methylbenzimidazole
CID 115553168
2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
CID 43666622
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
4-chloro-2-(1-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 104837645
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
2-(2-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole
CID 62409588

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole (CID 43667498) is 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole is CC1CCCC(n2c(CCCl)nc3cccc(Cl)c32)C1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole?
The InChIKey is RAKMOHFLSNSDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2/c1-11-4-2-5-12(10-11)20-15(8-9-17)19-14-7-3-6-13(18)16(14)20/h3,6-7,11-12H,2,4-5,8-10H2,1H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole has a molecular weight of 311.26 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole is sourced from PubChem (CID 43667498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).