5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol

C10H18ClN3O — CID 106130407

IUPAC5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3O/c1-8(15)4-3-5-12-7-10-13-6-9(11)14(10)2/h6,8,12,15H,3-5,7H2,1-2H3
InChIKeyMIOUUBHIOZFQSZ-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.32
Rot. Bonds6

About 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol

5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol (PubChem CID 106130407) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
PubChem CID106130407
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CCCNCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3O/c1-8(15)4-3-5-12-7-10-13-6-9(11)14(10)2/h6,8,12,15H,3-5,7H2,1-2H3
InChIKeyMIOUUBHIOZFQSZ-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
4-[(5-chloro-1-methylimidazol-2-yl)methylamino]butanoic acid
CID 43473339
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol
CID 106131673
1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-3-ethylpentan-2-ol
CID 114168345
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethoxyethanamine
CID 43591015
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide
CID 130815542
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine
CID 115756655
(2S)-2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79249698
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 60687993
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43088251
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 60981096
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43217592

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol (CID 106130407) is 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol is CC(O)CCCNCc1ncc(Cl)n1C.
What is the InChIKey of 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol?
The InChIKey is MIOUUBHIOZFQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-8(15)4-3-5-12-7-10-13-6-9(11)14(10)2/h6,8,12,15H,3-5,7H2,1-2H3.
What are the key properties of 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol?
5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol has a molecular weight of 231.73 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 106130407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).