(4-aminophenyl) 4-phenylimidazole-1-carboxylate

C16H13N3O2 — CID 145005774

IUPAC(4-aminophenyl) 4-phenylimidazole-1-carboxylate
SMILESNc1ccc(OC(=O)n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13N3O2/c17-13-6-8-14(9-7-13)21-16(20)19-10-15(18-11-19)12-4-2-1-3-5-12/h1-11H,17H2
InChIKeyQVWFRKXEGJMUGS-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.18
Rot. Bonds2

About (4-aminophenyl) 4-phenylimidazole-1-carboxylate

(4-aminophenyl) 4-phenylimidazole-1-carboxylate (PubChem CID 145005774) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (4-aminophenyl) 4-phenylimidazole-1-carboxylate.

Molecular Properties

Compound Name(4-aminophenyl) 4-phenylimidazole-1-carboxylate
PubChem CID145005774
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name(4-aminophenyl) 4-phenylimidazole-1-carboxylate
SMILESNc1ccc(OC(=O)n2cnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13N3O2/c17-13-6-8-14(9-7-13)21-16(20)19-10-15(18-11-19)12-4-2-1-3-5-12/h1-11H,17H2
InChIKeyQVWFRKXEGJMUGS-UHFFFAOYSA-N
XLogP3.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
(E)-3-(4-methoxyphenyl)-1-(4-phenylimidazol-1-yl)prop-2-en-1-one
CID 101143613
tert-butyl 4-(3-aminophenyl)imidazole-1-carboxylate
CID 68839882
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-chlorophenyl)imidazole-1-carboxylate
CID 158648644
4-(4-methylphenyl)imidazole-1-carboxylic acid
CID 174417418
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
bis(4-phenylimidazol-1-yl) butanedioate
CID 175499133
N-(3-methylbutyl)-4-phenylimidazole-1-carboxamide
CID 156708451
bis(4-aminophenyl) benzene-1,2-dicarboxylate
CID 20517221
4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide
CID 66682655
4-(4-fluoro-3-methoxyphenyl)-N-methyl-N-(oxan-4-yl)imidazole-1-carboxamide;N-methyloxan-4-amine;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate
CID 162110826

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) 4-phenylimidazole-1-carboxylate?
The IUPAC name of (4-aminophenyl) 4-phenylimidazole-1-carboxylate (CID 145005774) is (4-aminophenyl) 4-phenylimidazole-1-carboxylate.
What is the SMILES notation for (4-aminophenyl) 4-phenylimidazole-1-carboxylate?
The canonical SMILES for (4-aminophenyl) 4-phenylimidazole-1-carboxylate is Nc1ccc(OC(=O)n2cnc(-c3ccccc3)c2)cc1.
What is the InChIKey of (4-aminophenyl) 4-phenylimidazole-1-carboxylate?
The InChIKey is QVWFRKXEGJMUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-13-6-8-14(9-7-13)21-16(20)19-10-15(18-11-19)12-4-2-1-3-5-12/h1-11H,17H2.
What are the key properties of (4-aminophenyl) 4-phenylimidazole-1-carboxylate?
(4-aminophenyl) 4-phenylimidazole-1-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) 4-phenylimidazole-1-carboxylate is sourced from PubChem (CID 145005774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).