2-butyl-1H-imidazole

C7H12N2 — CID 11815351

IUPAC2-butyl-1H-imidazole
SMILESCCCCc1ncc[nH]1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeySLLDUURXGMDOCY-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.75
Rot. Bonds3

About 2-butyl-1H-imidazole

2-butyl-1H-imidazole (PubChem CID 11815351) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-butyl-1H-imidazole.

Molecular Properties

Compound Name2-butyl-1H-imidazole
PubChem CID11815351
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-butyl-1H-imidazole
SMILESCCCCc1ncc[nH]1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeySLLDUURXGMDOCY-UHFFFAOYSA-N
XLogP1.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Imidazole
CID 795
2-Methylimidazole
CID 12749
2-Aminoimidazole
CID 82140
2-Ethylimidazole
CID 66130
N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine
CID 4962631
4-(1H-imidazol-1-yl)butan-1-amine
CID 4379480
1H-imidazole-2-carbonitrile
CID 564456
3-(2-methyl-1H-imidazol-1-yl)propan-1-amine
CID 3152105
1H-Imidazole, 2-undecyl-
CID 85582
1H-Imidazole, 2-heptadecyl-
CID 90068
1H-Imidazole, 2-(1-methylethyl)-
CID 123457
2-Propylimidazole
CID 162617

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1H-imidazole?
The IUPAC name of 2-butyl-1H-imidazole (CID 11815351) is 2-butyl-1H-imidazole.
What is the SMILES notation for 2-butyl-1H-imidazole?
The canonical SMILES for 2-butyl-1H-imidazole is CCCCc1ncc[nH]1.
What is the InChIKey of 2-butyl-1H-imidazole?
The InChIKey is SLLDUURXGMDOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-butyl-1H-imidazole?
2-butyl-1H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1H-imidazole is sourced from PubChem (CID 11815351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).