[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid

C17H15N3O2 — CID 67529175

IUPAC[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(-n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H15N3O2/c21-17(22)18-10-13-6-8-15(9-7-13)20-11-16(19-12-20)14-4-2-1-3-5-14/h1-9,11-12,18H,10H2,(H,21,22)
InChIKeyUSOKWHAJQPTABP-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.31
Rot. Bonds4

About [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid

[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid (PubChem CID 67529175) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
PubChem CID67529175
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(-n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C17H15N3O2/c21-17(22)18-10-13-6-8-15(9-7-13)20-11-16(19-12-20)14-4-2-1-3-5-14/h1-9,11-12,18H,10H2,(H,21,22)
InChIKeyUSOKWHAJQPTABP-UHFFFAOYSA-N
XLogP3.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid 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-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109
ethyl N-[4-methyl-2-[4-(4-phenylimidazol-1-yl)phenyl]phenyl]sulfonylcarbamate
CID 91115352
4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid
CID 90000912
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
CID 91763304
2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid
CID 22291351
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
CID 139426275
1-benzyl-3-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]urea
CID 177386987
N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
1-phenyl-4-[3-[2-[3-(1-phenylimidazol-4-yl)phenyl]propan-2-yl]phenyl]imidazole
CID 58831048
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid?
The IUPAC name of [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid (CID 67529175) is [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid is O=C(O)NCc1ccc(-n2cnc(-c3ccccc3)c2)cc1.
What is the InChIKey of [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid?
The InChIKey is USOKWHAJQPTABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(22)18-10-13-6-8-15(9-7-13)20-11-16(19-12-20)14-4-2-1-3-5-14/h1-9,11-12,18H,10H2,(H,21,22).
What are the key properties of [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid?
[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid has a molecular weight of 293.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid is sourced from PubChem (CID 67529175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).