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

C16H18N4O — CID 79208915

IUPAC4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2cccc(Cn3ccnc3)c2)C1
InChIInChI=1S/C16H18N4O/c17-14-5-4-13(9-14)16(21)19-15-3-1-2-12(8-15)10-20-7-6-18-11-20/h1-8,11,13-14H,9-10,17H2,(H,19,21)
InChIKeyUHQQACCJULGHQY-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.77
Rot. Bonds4

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

4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79208915) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
PubChem CID79208915
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)Nc2cccc(Cn3ccnc3)c2)C1
InChIInChI=1S/C16H18N4O/c17-14-5-4-13(9-14)16(21)19-15-3-1-2-12(8-15)10-20-7-6-18-11-20/h1-8,11,13-14H,9-10,17H2,(H,19,21)
InChIKeyUHQQACCJULGHQY-UHFFFAOYSA-N
XLogP1.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209719
N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982569
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 60866364
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47043133
N-[3-(imidazol-1-ylmethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43070906
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
CID 60846611
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435
N-(3-acetylphenyl)-4-aminocyclopent-2-ene-1-carboxamide
CID 79207031
2-(2,4-dichlorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 32557297

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide (CID 79208915) is 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)Nc2cccc(Cn3ccnc3)c2)C1.
What is the InChIKey of 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is UHQQACCJULGHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-14-5-4-13(9-14)16(21)19-15-3-1-2-12(8-15)10-20-7-6-18-11-20/h1-8,11,13-14H,9-10,17H2,(H,19,21).
What are the key properties of 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).