2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile

C16H12FN3 — CID 65035576

IUPAC2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(Cc2ccc(F)cc2)nc2cc(C#N)ccc21
InChIInChI=1S/C16H12FN3/c1-20-15-7-4-12(10-18)8-14(15)19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9H2,1H3
InChIKeyJEOABIHCRYTEQT-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.17
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile

2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile (PubChem CID 65035576) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile
PubChem CID65035576
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(Cc2ccc(F)cc2)nc2cc(C#N)ccc21
InChIInChI=1S/C16H12FN3/c1-20-15-7-4-12(10-18)8-14(15)19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9H2,1H3
InChIKeyJEOABIHCRYTEQT-UHFFFAOYSA-N
XLogP3.17
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile (CID 65035576) is 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile is Cn1c(Cc2ccc(F)cc2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is JEOABIHCRYTEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c1-20-15-7-4-12(10-18)8-14(15)19-16(20)9-11-2-5-13(17)6-3-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile?
2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65035576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).