(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol

C9H16N2O — CID 101415591

IUPAC(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol
SMILESCc1nccn1[C@@H](CO)C(C)C
InChIInChI=1S/C9H16N2O/c1-7(2)9(6-12)11-5-4-10-8(11)3/h4-5,7,9,12H,6H2,1-3H3/t9-/m0/s1
InChIKeyBQKUPACBNYTNCP-VIFPVBQESA-N
MW168.24 g/mol
LogP1.38
Rot. Bonds3

About (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol

(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol (PubChem CID 101415591) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol
PubChem CID101415591
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol
SMILESCc1nccn1[C@@H](CO)C(C)C
InChIInChI=1S/C9H16N2O/c1-7(2)9(6-12)11-5-4-10-8(11)3/h4-5,7,9,12H,6H2,1-3H3/t9-/m0/s1
InChIKeyBQKUPACBNYTNCP-VIFPVBQESA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol (CID 101415591) is (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol is Cc1nccn1[C@@H](CO)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol?
The InChIKey is BQKUPACBNYTNCP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)9(6-12)11-5-4-10-8(11)3/h4-5,7,9,12H,6H2,1-3H3/t9-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol?
(2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(2-methylimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 101415591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).