2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole

C15H12Cl2N2 — CID 43666718

IUPAC2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N2/c1-10(16)15-18-13-7-2-3-8-14(13)19(15)12-6-4-5-11(17)9-12/h2-10H,1H3
InChIKeyLZOOFHKTYWRTAF-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.98
Rot. Bonds2

About 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole

2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole (PubChem CID 43666718) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
PubChem CID43666718
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N2/c1-10(16)15-18-13-7-2-3-8-14(13)19(15)12-6-4-5-11(17)9-12/h2-10H,1H3
InChIKeyLZOOFHKTYWRTAF-UHFFFAOYSA-N
XLogP4.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.98
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-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
2-(1-chloroethyl)-3-(3-chlorophenyl)benzimidazole-5-carbonitrile
CID 104715320
2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667104
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
2-(1-chloroethyl)-1-(2,3-dihydro-1H-inden-5-yl)benzimidazole
CID 43667336
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 83079081
2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 61075050
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
2-(1-chloroethyl)-1-(3,5-dichlorophenyl)-7-methylbenzimidazole
CID 115552926

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole (CID 43666718) is 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole is CC(Cl)c1nc2ccccc2n1-c1cccc(Cl)c1.
What is the InChIKey of 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole?
The InChIKey is LZOOFHKTYWRTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-10(16)15-18-13-7-2-3-8-14(13)19(15)12-6-4-5-11(17)9-12/h2-10H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole?
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole has a molecular weight of 291.18 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole is sourced from PubChem (CID 43666718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).