5-butyl-1H-imidazole

C7H12N2 — CID 14717864

IUPAC5-butyl-1H-imidazole
SMILESCCCCc1cnc[nH]1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyYOTBOYFKPMRBAG-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.75
Rot. Bonds3

About 5-butyl-1H-imidazole

5-butyl-1H-imidazole (PubChem CID 14717864) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-butyl-1H-imidazole.

Molecular Properties

Compound Name5-butyl-1H-imidazole
PubChem CID14717864
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-butyl-1H-imidazole
SMILESCCCCc1cnc[nH]1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyYOTBOYFKPMRBAG-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

Histamine
CID 774
4-Methylimidazole
CID 13195
1-Methylhistamine
CID 3614
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
3-Methylhistamine
CID 69520
Burimamide
CID 3032915
Cipralisant
CID 6450823
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1H-imidazole?
The IUPAC name of 5-butyl-1H-imidazole (CID 14717864) is 5-butyl-1H-imidazole.
What is the SMILES notation for 5-butyl-1H-imidazole?
The canonical SMILES for 5-butyl-1H-imidazole is CCCCc1cnc[nH]1.
What is the InChIKey of 5-butyl-1H-imidazole?
The InChIKey is YOTBOYFKPMRBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 5-butyl-1H-imidazole?
5-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 5-butyl-1H-imidazole is sourced from PubChem (CID 14717864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).