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

C14H10ClFN2 — CID 60978001

IUPAC4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
SMILESFc1ccc(Cc2nc3c(Cl)cccc3[nH]2)cc1
InChIInChI=1S/C14H10ClFN2/c15-11-2-1-3-12-14(11)18-13(17-12)8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,17,18)
InChIKeyIXXXJIYZNAQUMG-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.95
Rot. Bonds2

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

4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole (PubChem CID 60978001) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
PubChem CID60978001
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
SMILESFc1ccc(Cc2nc3c(Cl)cccc3[nH]2)cc1
InChIInChI=1S/C14H10ClFN2/c15-11-2-1-3-12-14(11)18-13(17-12)8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,17,18)
InChIKeyIXXXJIYZNAQUMG-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole (CID 60978001) is 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole is Fc1ccc(Cc2nc3c(Cl)cccc3[nH]2)cc1.
What is the InChIKey of 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole?
The InChIKey is IXXXJIYZNAQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-11-2-1-3-12-14(11)18-13(17-12)8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole?
4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole has a molecular weight of 260.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 60978001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).