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

C16H20Cl2N2 — CID 43666575

IUPAC7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1C1CCCCC1C
InChIInChI=1S/C16H20Cl2N2/c1-10-6-3-4-9-14(10)20-15-12(18)7-5-8-13(15)19-16(20)11(2)17/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3
InChIKeyCNRKYMLPJFYNNU-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.74
Rot. Bonds2

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

7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole (PubChem CID 43666575) has the molecular formula C16H20Cl2N2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole
PubChem CID43666575
Molecular FormulaC16H20Cl2N2
Molecular Weight311.26 g/mol
Exact Mass310.10
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1C1CCCCC1C
InChIInChI=1S/C16H20Cl2N2/c1-10-6-3-4-9-14(10)20-15-12(18)7-5-8-13(15)19-16(20)11(2)17/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3
InChIKeyCNRKYMLPJFYNNU-UHFFFAOYSA-N
XLogP5.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.74
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

7-chloro-2-(1-chloroethyl)-1-cycloheptylbenzimidazole
CID 43667424
7-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 43666432
(1S)-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)ethanamine
CID 83868081
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259207
2-(1-chloroethyl)-5-methyl-3-(2-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 81136444
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
1-amino-1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 60787763
2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 43666537
2-(1-chloroethyl)-5-iodo-1-(2-methylcycloheptyl)benzimidazole
CID 66082667
2-(1-chloroethyl)-1-(3,4-dimethylcyclohexyl)-7-methylbenzimidazole
CID 115553608
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
1-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 54920072

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole (CID 43666575) is 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole is CC(Cl)c1nc2cccc(Cl)c2n1C1CCCCC1C.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole?
The InChIKey is CNRKYMLPJFYNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2/c1-10-6-3-4-9-14(10)20-15-12(18)7-5-8-13(15)19-16(20)11(2)17/h5,7-8,10-11,14H,3-4,6,9H2,1-2H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole has a molecular weight of 311.26 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-chloroethyl)-1-(2-methylcyclohexyl)benzimidazole is sourced from PubChem (CID 43666575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).