2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile

C15H10FN3 — CID 104720485

IUPAC2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
SMILESCc1cc(F)ccc1-c1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C15H10FN3/c1-9-7-11(16)5-6-12(9)15-18-13-4-2-3-10(8-17)14(13)19-15/h2-7H,1H3,(H,18,19)
InChIKeyIWCSYIAQYNFRBT-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.55
Rot. Bonds1

About 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile

2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile (PubChem CID 104720485) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
PubChem CID104720485
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile
SMILESCc1cc(F)ccc1-c1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C15H10FN3/c1-9-7-11(16)5-6-12(9)15-18-13-4-2-3-10(8-17)14(13)19-15/h2-7H,1H3,(H,18,19)
InChIKeyIWCSYIAQYNFRBT-UHFFFAOYSA-N
XLogP3.55
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile (CID 104720485) is 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile is Cc1cc(F)ccc1-c1nc2c(C#N)cccc2[nH]1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is IWCSYIAQYNFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c1-9-7-11(16)5-6-12(9)15-18-13-4-2-3-10(8-17)14(13)19-15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile?
2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).