7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid

C17H21N3O3 — CID 75414767

IUPAC7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C17H21N3O3/c21-16(22)10-6-1-2-7-11-19-17(23)15-12-18-13-20(15)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2,(H,19,23)(H,21,22)
InChIKeyVXEWSNWHZSEIGJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.64
Rot. Bonds9

About 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid

7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid (PubChem CID 75414767) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
PubChem CID75414767
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C17H21N3O3/c21-16(22)10-6-1-2-7-11-19-17(23)15-12-18-13-20(15)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2,(H,19,23)(H,21,22)
InChIKeyVXEWSNWHZSEIGJ-UHFFFAOYSA-N
XLogP2.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic 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

N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
CID 35416761
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylimidazole-4-carboxamide
CID 9118961
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 78820322
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
CID 111451586
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-phenylimidazole-4-carboxamide
CID 27708220
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746

Frequently Asked Questions

What is the IUPAC name of 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid (CID 75414767) is 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid?
The InChIKey is VXEWSNWHZSEIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(22)10-6-1-2-7-11-19-17(23)15-12-18-13-20(15)14-8-4-3-5-9-14/h3-5,8-9,12-13H,1-2,6-7,10-11H2,(H,19,23)(H,21,22).
What are the key properties of 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid?
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 75414767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).