4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide

C15H16N4O2 — CID 79209501

IUPAC4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(-n3cc[nH]c3=O)cc2)C1
InChIInChI=1S/C15H16N4O2/c16-11-2-1-10(9-11)14(20)18-12-3-5-13(6-4-12)19-8-7-17-15(19)21/h1-8,10-11H,9,16H2,(H,17,21)(H,18,20)
InChIKeyJNCMFSUFTDFOHS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.01
Rot. Bonds3

About 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79209501) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide
PubChem CID79209501
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2ccc(-n3cc[nH]c3=O)cc2)C1
InChIInChI=1S/C15H16N4O2/c16-11-2-1-10(9-11)14(20)18-12-3-5-13(6-4-12)19-8-7-17-15(19)21/h1-8,10-11H,9,16H2,(H,17,21)(H,18,20)
InChIKeyJNCMFSUFTDFOHS-UHFFFAOYSA-N
XLogP1.01
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopentane-1-carboxamide
CID 64824747
N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 60927810
2-(cyclopropylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 60928032
2-amino-2-cyclopropyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 60928039
3-[4-[(3,5-dimethylcyclohexyl)amino]phenyl]-1H-imidazol-2-one
CID 64752407
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
CID 79211253
2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
CID 76888014
4-amino-N-(3,4-dichlorophenyl)cyclopent-2-ene-1-carboxamide
CID 79210508
4-amino-N-(4-ethoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211304
4-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210458
(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
CID 61174783
4-amino-N-(3-chloro-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211066

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide (CID 79209501) is 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2ccc(-n3cc[nH]c3=O)cc2)C1.
What is the InChIKey of 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is JNCMFSUFTDFOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-11-2-1-10(9-11)14(20)18-12-3-5-13(6-4-12)19-8-7-17-15(19)21/h1-8,10-11H,9,16H2,(H,17,21)(H,18,20).
What are the key properties of 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).