2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile

C16H14N4 — CID 104720365

IUPAC2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile
SMILESCN(C)c1cccc(-c2nc3c(C#N)cccc3[nH]2)c1
InChIInChI=1S/C16H14N4/c1-20(2)13-7-3-5-11(9-13)16-18-14-8-4-6-12(10-17)15(14)19-16/h3-9H,1-2H3,(H,18,19)
InChIKeyQQGLNSUXTVEPJD-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.17
Rot. Bonds2

About 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile

2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile (PubChem CID 104720365) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile
PubChem CID104720365
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile
SMILESCN(C)c1cccc(-c2nc3c(C#N)cccc3[nH]2)c1
InChIInChI=1S/C16H14N4/c1-20(2)13-7-3-5-11(9-13)16-18-14-8-4-6-12(10-17)15(14)19-16/h3-9H,1-2H3,(H,18,19)
InChIKeyQQGLNSUXTVEPJD-UHFFFAOYSA-N
XLogP3.17
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile (CID 104720365) is 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile is CN(C)c1cccc(-c2nc3c(C#N)cccc3[nH]2)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile?
The InChIKey is QQGLNSUXTVEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-20(2)13-7-3-5-11(9-13)16-18-14-8-4-6-12(10-17)15(14)19-16/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile?
2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).