6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole

C16H13Cl2FN2 — CID 115470870

IUPAC6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H13Cl2FN2/c1-10(17)16-20-14-6-5-12(18)8-15(14)21(16)9-11-3-2-4-13(19)7-11/h2-8,10H,9H2,1H3
InChIKeyOKMAXGIPPUUEQB-UHFFFAOYSA-N
MW323.20 g/mol
LogP5.18
Rot. Bonds3

About 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole

6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole (PubChem CID 115470870) has the molecular formula C16H13Cl2FN2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
PubChem CID115470870
Molecular FormulaC16H13Cl2FN2
Molecular Weight323.20 g/mol
Exact Mass322.04
IUPAC Name6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H13Cl2FN2/c1-10(17)16-20-14-6-5-12(18)8-15(14)21(16)9-11-3-2-4-13(19)7-11/h2-8,10H,9H2,1H3
InChIKeyOKMAXGIPPUUEQB-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.20
LogP ≤ 55.18
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)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557
2-(1-chloroethyl)-5-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60902916
2-(1-chloroethyl)-6-fluoro-1-[(4-methylphenyl)methyl]benzimidazole
CID 62377194
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65345047
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 42904099
6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79277845
6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
CID 115470912
6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115471524
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole (CID 115470870) is 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1Cc1cccc(F)c1.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole?
The InChIKey is OKMAXGIPPUUEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2/c1-10(17)16-20-14-6-5-12(18)8-15(14)21(16)9-11-3-2-4-13(19)7-11/h2-8,10H,9H2,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole?
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole has a molecular weight of 323.20 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 115470870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).