4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile

C20H14N4O — CID 118211653

IUPAC4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(Nn2cnc3ccccc32)cc1-c1ccc(O)cc1
InChIInChI=1S/C20H14N4O/c21-12-15-5-8-16(11-18(15)14-6-9-17(25)10-7-14)23-24-13-22-19-3-1-2-4-20(19)24/h1-11,13,23,25H
InChIKeyOGAAMKYPKVQXIF-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.16
Rot. Bonds3

About 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile

4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile (PubChem CID 118211653) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile
PubChem CID118211653
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(Nn2cnc3ccccc32)cc1-c1ccc(O)cc1
InChIInChI=1S/C20H14N4O/c21-12-15-5-8-16(11-18(15)14-6-9-17(25)10-7-14)23-24-13-22-19-3-1-2-4-20(19)24/h1-11,13,23,25H
InChIKeyOGAAMKYPKVQXIF-UHFFFAOYSA-N
XLogP4.16
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile?
The IUPAC name of 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile (CID 118211653) is 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile.
What is the SMILES notation for 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile?
The canonical SMILES for 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile is N#Cc1ccc(Nn2cnc3ccccc32)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile?
The InChIKey is OGAAMKYPKVQXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c21-12-15-5-8-16(11-18(15)14-6-9-17(25)10-7-14)23-24-13-22-19-3-1-2-4-20(19)24/h1-11,13,23,25H.
What are the key properties of 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile?
4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile has a molecular weight of 326.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylamino)-2-(4-hydroxyphenyl)benzonitrile is sourced from PubChem (CID 118211653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).