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

C15H10FN3 — CID 104720469

IUPAC2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(Cc3ccccc3F)nc12
InChIInChI=1S/C15H10FN3/c16-12-6-2-1-4-10(12)8-14-18-13-7-3-5-11(9-17)15(13)19-14/h1-7H,8H2,(H,18,19)
InChIKeyBYZUXLZTJUWTQP-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.16
Rot. Bonds2

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

2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile (PubChem CID 104720469) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
PubChem CID104720469
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(Cc3ccccc3F)nc12
InChIInChI=1S/C15H10FN3/c16-12-6-2-1-4-10(12)8-14-18-13-7-3-5-11(9-17)15(13)19-14/h1-7H,8H2,(H,18,19)
InChIKeyBYZUXLZTJUWTQP-UHFFFAOYSA-N
XLogP3.16
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile (CID 104720469) is 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(Cc3ccccc3F)nc12.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
The InChIKey is BYZUXLZTJUWTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c16-12-6-2-1-4-10(12)8-14-18-13-7-3-5-11(9-17)15(13)19-14/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile?
2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).