2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole

C14H10ClFN2 — CID 3020241

IUPAC2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyPGXALMVNIRPELS-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.88
Rot. Bonds2

About 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole

2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole (PubChem CID 3020241) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole
PubChem CID3020241
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKeyPGXALMVNIRPELS-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole (CID 3020241) is 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole is Fc1ccc(Cn2c(Cl)nc3ccccc32)cc1.
What is the InChIKey of 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole?
The InChIKey is PGXALMVNIRPELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2.
What are the key properties of 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole?
2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole has a molecular weight of 260.70 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 3020241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).