5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide

C16H22N4O — CID 106233404

IUPAC5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
SMILESCc1ncc(CNCCCCC(N)=O)n1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13-19-12-15(11-18-10-6-5-9-16(17)21)20(13)14-7-3-2-4-8-14/h2-4,7-8,12,18H,5-6,9-11H2,1H3,(H2,17,21)
InChIKeyOJEKEFSFMFWPCJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.93
Rot. Bonds8

About 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide

5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide (PubChem CID 106233404) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
PubChem CID106233404
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
SMILESCc1ncc(CNCCCCC(N)=O)n1-c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13-19-12-15(11-18-10-6-5-9-16(17)21)20(13)14-7-3-2-4-8-14/h2-4,7-8,12,18H,5-6,9-11H2,1H3,(H2,17,21)
InChIKeyOJEKEFSFMFWPCJ-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide 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

5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
CID 107302931
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
CID 79178650
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 79178221
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
N'-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-N'-prop-2-ynylpropane-1,3-diamine
CID 126816091
4-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]butanamide
CID 60865560
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395442
5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
CID 114161729
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide?
The IUPAC name of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide (CID 106233404) is 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide is Cc1ncc(CNCCCCC(N)=O)n1-c1ccccc1.
What is the InChIKey of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide?
The InChIKey is OJEKEFSFMFWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-19-12-15(11-18-10-6-5-9-16(17)21)20(13)14-7-3-2-4-8-14/h2-4,7-8,12,18H,5-6,9-11H2,1H3,(H2,17,21).
What are the key properties of 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide?
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide is sourced from PubChem (CID 106233404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).