2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole

C16H13ClF2N2 — CID 63546689

IUPAC2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
SMILESCc1c(F)cccc1-n1c(C(C)Cl)nc2c(F)cccc21
InChIInChI=1S/C16H13ClF2N2/c1-9-11(18)5-3-7-13(9)21-14-8-4-6-12(19)15(14)20-16(21)10(2)17/h3-8,10H,1-2H3
InChIKeyGPEYXLQZCTULMK-UHFFFAOYSA-N
MW306.74 g/mol
LogP4.91
Rot. Bonds2

About 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole

2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole (PubChem CID 63546689) 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-fluoro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
PubChem CID63546689
Molecular FormulaC16H13ClF2N2
Molecular Weight306.74 g/mol
Exact Mass306.07
IUPAC Name2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
SMILESCc1c(F)cccc1-n1c(C(C)Cl)nc2c(F)cccc21
InChIInChI=1S/C16H13ClF2N2/c1-9-11(18)5-3-7-13(9)21-14-8-4-6-12(19)15(14)20-16(21)10(2)17/h3-8,10H,1-2H3
InChIKeyGPEYXLQZCTULMK-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole (CID 63546689) is 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole is Cc1c(F)cccc1-n1c(C(C)Cl)nc2c(F)cccc21.
What is the InChIKey of 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
The InChIKey is GPEYXLQZCTULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2/c1-9-11(18)5-3-7-13(9)21-14-8-4-6-12(19)15(14)20-16(21)10(2)17/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole?
2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole has a molecular weight of 306.74 g/mol, XLogP of 4.91, 2 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-fluoro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 63546689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).