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

C11H20ClN3O — CID 106292432

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ncc(Cl)n1C
InChIInChI=1S/C11H20ClN3O/c1-4-5-11(2,16)8-13-7-10-14-6-9(12)15(10)3/h6,13,16H,4-5,7-8H2,1-3H3
InChIKeyQANSGAJWGWAQBN-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.71
Rot. Bonds6

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

1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol (PubChem CID 106292432) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol
PubChem CID106292432
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ncc(Cl)n1C
InChIInChI=1S/C11H20ClN3O/c1-4-5-11(2,16)8-13-7-10-14-6-9(12)15(10)3/h6,13,16H,4-5,7-8H2,1-3H3
InChIKeyQANSGAJWGWAQBN-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186015
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
CID 114169123
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine
CID 115756655
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
CID 43401730
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
1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
CID 106293010
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 115767901
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222511
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine
CID 60702467

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol (CID 106292432) is 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1ncc(Cl)n1C.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol?
The InChIKey is QANSGAJWGWAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-4-5-11(2,16)8-13-7-10-14-6-9(12)15(10)3/h6,13,16H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol?
1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol has a molecular weight of 245.75 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 106292432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).