4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide

C16H20N4O — CID 118255986

IUPAC4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide
SMILESNc1cccc(-c2cn(C(=O)NCC3CCCC3)cn2)c1
InChIInChI=1S/C16H20N4O/c17-14-7-3-6-13(8-14)15-10-20(11-19-15)16(21)18-9-12-4-1-2-5-12/h3,6-8,10-12H,1-2,4-5,9,17H2,(H,18,21)
InChIKeyXYZTVSIDIHBOLU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.88
Rot. Bonds3

About 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide

4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide (PubChem CID 118255986) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide
PubChem CID118255986
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide
SMILESNc1cccc(-c2cn(C(=O)NCC3CCCC3)cn2)c1
InChIInChI=1S/C16H20N4O/c17-14-7-3-6-13(8-14)15-10-20(11-19-15)16(21)18-9-12-4-1-2-5-12/h3,6-8,10-12H,1-2,4-5,9,17H2,(H,18,21)
InChIKeyXYZTVSIDIHBOLU-UHFFFAOYSA-N
XLogP2.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide (CID 118255986) is 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide is Nc1cccc(-c2cn(C(=O)NCC3CCCC3)cn2)c1.
What is the InChIKey of 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide?
The InChIKey is XYZTVSIDIHBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-14-7-3-6-13(8-14)15-10-20(11-19-15)16(21)18-9-12-4-1-2-5-12/h3,6-8,10-12H,1-2,4-5,9,17H2,(H,18,21).
What are the key properties of 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide?
4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-(cyclopentylmethyl)imidazole-1-carboxamide is sourced from PubChem (CID 118255986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).