2-[(2R)-butan-2-yl]-1H-imidazole

C7H12N2 — CID 89008830

IUPAC2-[(2R)-butan-2-yl]-1H-imidazole
SMILESCC[C@@H](C)c1ncc[nH]1
InChIInChI=1S/C7H12N2/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyXFDFELYDTUQBDS-ZCFIWIBFSA-N
MW124.19 g/mol
LogP1.92
Rot. Bonds2

About 2-[(2R)-butan-2-yl]-1H-imidazole

2-[(2R)-butan-2-yl]-1H-imidazole (PubChem CID 89008830) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2R)-butan-2-yl]-1H-imidazole
PubChem CID89008830
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-[(2R)-butan-2-yl]-1H-imidazole
SMILESCC[C@@H](C)c1ncc[nH]1
InChIInChI=1S/C7H12N2/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyXFDFELYDTUQBDS-ZCFIWIBFSA-N
XLogP1.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2R)-butan-2-yl]-1H-imidazole 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-butan-2-yl-1H-imidazole;ethane
CID 156722843
2-hexan-2-yl-1H-imidazole
CID 54215570
2-(1-methylsulfanylpropan-2-yl)-1H-imidazole
CID 66924438
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
2-butan-2-yl-1H-pyrimidine-6-thione
CID 106476513
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
2-(1-bromobutyl)-1H-imidazole
CID 19936731
2-(ethylamino)-1-(1H-imidazol-2-yl)ethanethiol
CID 57073754

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]-1H-imidazole?
The IUPAC name of 2-[(2R)-butan-2-yl]-1H-imidazole (CID 89008830) is 2-[(2R)-butan-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[(2R)-butan-2-yl]-1H-imidazole?
The canonical SMILES for 2-[(2R)-butan-2-yl]-1H-imidazole is CC[C@@H](C)c1ncc[nH]1.
What is the InChIKey of 2-[(2R)-butan-2-yl]-1H-imidazole?
The InChIKey is XFDFELYDTUQBDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)/t6-/m1/s1.
What are the key properties of 2-[(2R)-butan-2-yl]-1H-imidazole?
2-[(2R)-butan-2-yl]-1H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-butan-2-yl]-1H-imidazole is sourced from PubChem (CID 89008830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).