4-propan-2-yl-2H-imidazole

C6H10N2 — CID 18736802

IUPAC4-propan-2-yl-2H-imidazole
SMILESCC(C)C1=NCN=C1
InChIInChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3,5H,4H2,1-2H3
InChIKeyJVIHVEZUMJKXSG-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.13
Rot. Bonds1

About 4-propan-2-yl-2H-imidazole

4-propan-2-yl-2H-imidazole (PubChem CID 18736802) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name4-propan-2-yl-2H-imidazole
PubChem CID18736802
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-propan-2-yl-2H-imidazole
SMILESCC(C)C1=NCN=C1
InChIInChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3,5H,4H2,1-2H3
InChIKeyJVIHVEZUMJKXSG-UHFFFAOYSA-N
XLogP1.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2,5-di-tert.-butyl-2H-imidazol
CID 10679367
4-Propan-2-ylimidazole-2-thione
CID 21160582
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-2H-imidazole
CID 168761977
InChI=1/C6H10N2/c1-5-4-7-6(2,3)8-5/h4H,1-3H
CID 5325309
3,4-Dideuterio-4,5-dimethylpyrazole
CID 164668143
(2S)-2-methyl-2,4-di(propan-2-yl)imidazole
CID 5325305
InChI=1/C8H14N2/c1-6(2)7-5-9-8(3,4)10-7/h5-6H,1-4H
CID 5325306
(2S)-2,4-ditert-butyl-2-methylimidazole
CID 5325307
2,4-Diisopropyl-2-methyl-2H-imidazole
CID 10749593
3,4-dimethyl-4H-pyrazole
CID 20718503
1,4,5-trimethyl-4H-pyrazol-1-ium
CID 22959948
4-tert-butyl-2H-imidazole
CID 22975259

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2H-imidazole?
The IUPAC name of 4-propan-2-yl-2H-imidazole (CID 18736802) is 4-propan-2-yl-2H-imidazole.
What is the SMILES notation for 4-propan-2-yl-2H-imidazole?
The canonical SMILES for 4-propan-2-yl-2H-imidazole is CC(C)C1=NCN=C1.
What is the InChIKey of 4-propan-2-yl-2H-imidazole?
The InChIKey is JVIHVEZUMJKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6-3-7-4-8-6/h3,5H,4H2,1-2H3.
What are the key properties of 4-propan-2-yl-2H-imidazole?
4-propan-2-yl-2H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2H-imidazole is sourced from PubChem (CID 18736802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).