5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile

C16H12N4O — CID 1481174

IUPAC5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C16H12N4O/c17-10-15-16(18)20(11-19-15)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,11H,18H2
InChIKeyRRNDKKVSZPULNH-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.12
Rot. Bonds3

About 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile

5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile (PubChem CID 1481174) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile
PubChem CID1481174
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C16H12N4O/c17-10-15-16(18)20(11-19-15)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,11H,18H2
InChIKeyRRNDKKVSZPULNH-UHFFFAOYSA-N
XLogP3.12
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Butoxy-phenyl)-1H-imidazole
CID 11321889
2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341234
1-(4-methoxyphenyl)-1H-benzimidazole
CID 743942
5-amino-1-(2-ethoxyphenyl)-1H-imidazole-4-carbonitrile
CID 1481175
9-(4-Methoxyphenyl)-9h-purine-2,6-diamine
CID 240288
[6-(4-Imidazol-1-yl-phenoxy)-hexyl]-dimethyl-amine
CID 10108128
1-(4-Butoxy-phenyl)-2-methyl-1H-imidazole
CID 11148936
1-(4-Butoxy-phenyl)-4-methyl-1H-imidazole
CID 11172276
1-(4-Butoxy-phenyl)-5-methyl-1H-imidazole
CID 11368215
4-[5-(4-cyanobenzyl-4-phenoxyanilinomethyl)-1H-1-imidazolylmethyl]benzonitrile
CID 19707472
4-(5-{[Butyl-(4-phenoxy-phenyl)-amino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 44340966
2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine
CID 70687393

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile (CID 1481174) is 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile is N#Cc1ncn(-c2ccc(Oc3ccccc3)cc2)c1N.
What is the InChIKey of 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile?
The InChIKey is RRNDKKVSZPULNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-10-15-16(18)20(11-19-15)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,11H,18H2.
What are the key properties of 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile?
5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-phenoxyphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 1481174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).