4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol

C17H25N3O — CID 111969454

IUPAC4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
SMILESCc1ncc(CNCCC(O)C(C)C)n1-c1ccccc1
InChIInChI=1S/C17H25N3O/c1-13(2)17(21)9-10-18-11-16-12-19-14(3)20(16)15-7-5-4-6-8-15/h4-8,12-13,17-18,21H,9-11H2,1-3H3
InChIKeyVYCVBOJJGJVQQM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.68
Rot. Bonds7

About 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol

4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol (PubChem CID 111969454) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
PubChem CID111969454
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
SMILESCc1ncc(CNCCC(O)C(C)C)n1-c1ccccc1
InChIInChI=1S/C17H25N3O/c1-13(2)17(21)9-10-18-11-16-12-19-14(3)20(16)15-7-5-4-6-8-15/h4-8,12-13,17-18,21H,9-11H2,1-3H3
InChIKeyVYCVBOJJGJVQQM-UHFFFAOYSA-N
XLogP2.68
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol 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]-3-propan-2-yloxypropan-1-amine
CID 79178221
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
CID 79178650
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
1-cyclopropyl-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
CID 79177340
(1S)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-1-thiophen-2-ylethanol
CID 97002395
1-(furan-2-yl)-2-[(2-methyl-3-phenylimidazol-4-yl)methylamino]ethanol
CID 111969344
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
1-methoxy-3-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]butan-2-amine
CID 79180311
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol?
The IUPAC name of 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol (CID 111969454) is 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol.
What is the SMILES notation for 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol?
The canonical SMILES for 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol is Cc1ncc(CNCCC(O)C(C)C)n1-c1ccccc1.
What is the InChIKey of 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol?
The InChIKey is VYCVBOJJGJVQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)17(21)9-10-18-11-16-12-19-14(3)20(16)15-7-5-4-6-8-15/h4-8,12-13,17-18,21H,9-11H2,1-3H3.
What are the key properties of 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol?
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol has a molecular weight of 287.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol is sourced from PubChem (CID 111969454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).