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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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).