5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol

C14H26ClN3O — CID 107095280

IUPAC5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCCc1nc(Cl)c(CNCCCC(C)CO)[nH]1
InChIInChI=1S/C14H26ClN3O/c1-3-4-7-13-17-12(14(15)18-13)9-16-8-5-6-11(2)10-19/h11,16,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyWXBUHQWKZIEUMY-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.90
Rot. Bonds10

About 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol

5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol (PubChem CID 107095280) has the molecular formula C14H26ClN3O and a molecular weight of 287.83 g/mol. Its IUPAC name is 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
PubChem CID107095280
Molecular FormulaC14H26ClN3O
Molecular Weight287.83 g/mol
Exact Mass287.18
IUPAC Name5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCCc1nc(Cl)c(CNCCCC(C)CO)[nH]1
InChIInChI=1S/C14H26ClN3O/c1-3-4-7-13-17-12(14(15)18-13)9-16-8-5-6-11(2)10-19/h11,16,19H,3-10H2,1-2H3,(H,17,18)
InChIKeyWXBUHQWKZIEUMY-UHFFFAOYSA-N
XLogP2.90
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-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

2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
CID 107095406
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 115674392
2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79756670
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107095589
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107272296
(1R)-N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81362461

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol (CID 107095280) is 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol is CCCCc1nc(Cl)c(CNCCCC(C)CO)[nH]1.
What is the InChIKey of 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol?
The InChIKey is WXBUHQWKZIEUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O/c1-3-4-7-13-17-12(14(15)18-13)9-16-8-5-6-11(2)10-19/h11,16,19H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol?
5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol has a molecular weight of 287.83 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 107095280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).