2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile

C15H12N4O — CID 172634498

IUPAC2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(NCc3ccc(O)cc3)nc12
InChIInChI=1S/C15H12N4O/c16-8-11-2-1-3-13-14(11)19-15(18-13)17-9-10-4-6-12(20)7-5-10/h1-7,20H,9H2,(H2,17,18,19)
InChIKeyJNQXCBKKGKIBMJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.75
Rot. Bonds3

About 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile

2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile (PubChem CID 172634498) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
PubChem CID172634498
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(NCc3ccc(O)cc3)nc12
InChIInChI=1S/C15H12N4O/c16-8-11-2-1-3-13-14(11)19-15(18-13)17-9-10-4-6-12(20)7-5-10/h1-7,20H,9H2,(H2,17,18,19)
InChIKeyJNQXCBKKGKIBMJ-UHFFFAOYSA-N
XLogP2.75
TPSA84.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-methoxyphenoxy)phenyl]methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634501
4-[[(4-cyano-1H-benzimidazol-2-yl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 172634410
4-[[(4-cyano-1H-benzimidazol-2-yl)amino]methyl]-N-[(4-phenoxyphenyl)methyl]benzamide
CID 172634467
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
2-[(2-methylphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634504
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 170579235
2-[2-(2-chlorophenyl)ethylamino]-1H-benzimidazole-4-carbonitrile
CID 172634449
2-[[2-(4-cyanophenyl)-2-methylpropyl]amino]-1H-benzimidazole-4-carbonitrile
CID 170579962
2-(ethoxymethyl)-1H-benzimidazole-4-carbonitrile
CID 104720448
3-[(4-hydroxyphenyl)methylamino]-2-nitrobenzonitrile
CID 114332529
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile (CID 172634498) is 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(NCc3ccc(O)cc3)nc12.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
The InChIKey is JNQXCBKKGKIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-8-11-2-1-3-13-14(11)19-15(18-13)17-9-10-4-6-12(20)7-5-10/h1-7,20H,9H2,(H2,17,18,19).
What are the key properties of 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile?
2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 172634498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).