4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole

C14H16Cl2N2 — CID 104838360

IUPAC4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
SMILESClCCc1nc2c(Cl)cccc2n1CCC1CC1
InChIInChI=1S/C14H16Cl2N2/c15-8-6-13-17-14-11(16)2-1-3-12(14)18(13)9-7-10-4-5-10/h1-3,10H,4-9H2
InChIKeyKNDQDMMLGZVSQI-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.27
Rot. Bonds5

About 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole

4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole (PubChem CID 104838360) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
PubChem CID104838360
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole
SMILESClCCc1nc2c(Cl)cccc2n1CCC1CC1
InChIInChI=1S/C14H16Cl2N2/c15-8-6-13-17-14-11(16)2-1-3-12(14)18(13)9-7-10-4-5-10/h1-3,10H,4-9H2
InChIKeyKNDQDMMLGZVSQI-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.27
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-(2-cyclopropylethyl)benzimidazole-4-carbonitrile
CID 104719797
4-chloro-2-(2-chloroethyl)-1-(cyclohexylmethyl)benzimidazole
CID 104837648
4-chloro-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 104837381
4-chloro-2-(2-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414431
4-chloro-2-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)benzimidazole
CID 104838552
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
4-chloro-2-(2-chloroethyl)-1-[(2,2-dimethylcyclopropyl)methyl]benzimidazole
CID 114109116
4-chloro-2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazole
CID 104837714
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040
4-chloro-2-(2-chloroethyl)-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 104837771
4-chloro-2-(2-chloroethyl)-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906979
4-chloro-2-(2-chloroethyl)-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 104837980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole (CID 104838360) is 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole is ClCCc1nc2c(Cl)cccc2n1CCC1CC1.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole?
The InChIKey is KNDQDMMLGZVSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-8-6-13-17-14-11(16)2-1-3-12(14)18(13)9-7-10-4-5-10/h1-3,10H,4-9H2.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole?
4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole has a molecular weight of 283.20 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethyl)-1-(2-cyclopropylethyl)benzimidazole is sourced from PubChem (CID 104838360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).