5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole

C15H12Cl2N2 — CID 43667015

IUPAC5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C15H12Cl2N2/c1-10(16)15-18-13-9-11(17)7-8-14(13)19(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyGUPNWMHQVVYEJC-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.98
Rot. Bonds2

About 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole

5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole (PubChem CID 43667015) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
PubChem CID43667015
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C15H12Cl2N2/c1-10(16)15-18-13-9-11(17)7-8-14(13)19(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyGUPNWMHQVVYEJC-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

5-chloro-2-(1-chloroethyl)-1-(4-methoxyphenyl)benzimidazole
CID 43666701
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
CID 70987216

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole (CID 43667015) is 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole is CC(Cl)c1nc2cc(Cl)ccc2n1-c1ccccc1.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole?
The InChIKey is GUPNWMHQVVYEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-10(16)15-18-13-9-11(17)7-8-14(13)19(15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole?
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole 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 5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole is sourced from PubChem (CID 43667015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).