1-butyl-3-methyl-2H-imidazole

C8H16N2 — CID 10265934

IUPAC1-butyl-3-methyl-2H-imidazole
SMILESCCCCN1C=CN(C)C1
InChIInChI=1S/C8H16N2/c1-3-4-5-10-7-6-9(2)8-10/h6-7H,3-5,8H2,1-2H3
InChIKeyKAIPKTYOBMEXRR-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.46
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole

1-butyl-3-methyl-2H-imidazole (PubChem CID 10265934) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole
PubChem CID10265934
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-butyl-3-methyl-2H-imidazole
SMILESCCCCN1C=CN(C)C1
InChIInChI=1S/C8H16N2/c1-3-4-5-10-7-6-9(2)8-10/h6-7H,3-5,8H2,1-2H3
InChIKeyKAIPKTYOBMEXRR-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-propylimidazolium Bromide
CID 60196377
1-Butyl-3-methylimidazolium Bromide
CID 25153273
1-Methyl-3-propylimidazolium chloride
CID 60196378
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Methyl-3-[4-(3-methyl-2-methylideneimidazol-1-yl)butyl]imidazole-2-selone
CID 177652334
1-Pentyl-3-methylimidazole
CID 19604648
1-Propyl-3-methylimidazole
CID 21917382
2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl-
CID 11116499
2,3-Dimethyl-1-butylimidazole
CID 2782664
1,3-Diisopropyl-2,3-dihydro-1H-imidazole
CID 4961718
1,3-Di-tert-butyl-2,3-dihydro-1H-imidazole
CID 10110535

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole (CID 10265934) is 1-butyl-3-methyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole is CCCCN1C=CN(C)C1.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole?
The InChIKey is KAIPKTYOBMEXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-10-7-6-9(2)8-10/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1-butyl-3-methyl-2H-imidazole?
1-butyl-3-methyl-2H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole is sourced from PubChem (CID 10265934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).