2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole

C16H13ClF2N2 — CID 60789844

IUPAC2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H13ClF2N2/c1-10(17)16-20-15-13(19)6-3-7-14(15)21(16)9-11-4-2-5-12(18)8-11/h2-8,10H,9H2,1H3
InChIKeyCQNWCWJVHQWNFV-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.66
Rot. Bonds3

About 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole

2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole (PubChem CID 60789844) has the molecular formula C16H13ClF2N2 and a molecular weight of 306.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
PubChem CID60789844
Molecular FormulaC16H13ClF2N2
Molecular Weight306.74 g/mol
Exact Mass306.07
IUPAC Name2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H13ClF2N2/c1-10(17)16-20-15-13(19)6-3-7-14(15)21(16)9-11-4-2-5-12(18)8-11/h2-8,10H,9H2,1H3
InChIKeyCQNWCWJVHQWNFV-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.66
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-methylphenyl)methyl]benzimidazole
CID 60903372
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole
CID 104838055
4-chloro-2-(1-chloroethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 104837733
2-(1-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326584
2-(1-chloroethyl)-4-fluoro-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole
CID 79360643
2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
CID 107529661
2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole
CID 60790255
(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)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414370
2-(1-chloroethyl)-4-fluoro-1-(3-propoxypropyl)benzimidazole
CID 82943672

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole (CID 60789844) is 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole is CC(Cl)c1nc2c(F)cccc2n1Cc1cccc(F)c1.
What is the InChIKey of 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
The InChIKey is CQNWCWJVHQWNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2/c1-10(17)16-20-15-13(19)6-3-7-14(15)21(16)9-11-4-2-5-12(18)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole?
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole has a molecular weight of 306.74 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 60789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).