4-nitroso-5-phenyl-1H-imidazol-2-amine

C9H8N4O — CID 13012268

IUPAC4-nitroso-5-phenyl-1H-imidazol-2-amine
SMILESNc1nc(N=O)c(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N4O/c10-9-11-7(8(12-9)13-14)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12)
InChIKeyPWKMKRNLVLDMCJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.06
Rot. Bonds2

About 4-nitroso-5-phenyl-1H-imidazol-2-amine

4-nitroso-5-phenyl-1H-imidazol-2-amine (PubChem CID 13012268) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-nitroso-5-phenyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-nitroso-5-phenyl-1H-imidazol-2-amine
PubChem CID13012268
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-nitroso-5-phenyl-1H-imidazol-2-amine
SMILESNc1nc(N=O)c(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N4O/c10-9-11-7(8(12-9)13-14)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12)
InChIKeyPWKMKRNLVLDMCJ-UHFFFAOYSA-N
XLogP2.06
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-nitroso-5-phenyl-1H-imidazol-2-amine 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

4-(benzylideneamino)-5-(3-methoxyphenyl)-1H-imidazol-2-amine
CID 67720258
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
5-fluoro-4-phenyl-1H-imidazol-2-amine
CID 141443454
5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride
CID 67672739
3-phenyl-1H-benzo[g]quinoxaline-2,5,10-trione
CID 927711
4-nitroso-3,5-diphenyl-1H-pyrazole
CID 15566459
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
CID 70689163
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
CID 70689162
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417
3,4,5-triphenyl-1H-pyrrol-2-amine
CID 172835095
(E)-1-(4-bromophenyl)-N-[5-(4-bromophenyl)-2-phenyl-1H-imidazol-4-yl]methanimine
CID 177468100

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-5-phenyl-1H-imidazol-2-amine?
The IUPAC name of 4-nitroso-5-phenyl-1H-imidazol-2-amine (CID 13012268) is 4-nitroso-5-phenyl-1H-imidazol-2-amine.
What is the SMILES notation for 4-nitroso-5-phenyl-1H-imidazol-2-amine?
The canonical SMILES for 4-nitroso-5-phenyl-1H-imidazol-2-amine is Nc1nc(N=O)c(-c2ccccc2)[nH]1.
What is the InChIKey of 4-nitroso-5-phenyl-1H-imidazol-2-amine?
The InChIKey is PWKMKRNLVLDMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-9-11-7(8(12-9)13-14)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12).
What are the key properties of 4-nitroso-5-phenyl-1H-imidazol-2-amine?
4-nitroso-5-phenyl-1H-imidazol-2-amine has a molecular weight of 188.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-5-phenyl-1H-imidazol-2-amine is sourced from PubChem (CID 13012268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).