2-butyl-1,3-dimethyl-2H-imidazole

C9H18N2 — CID 23140777

IUPAC2-butyl-1,3-dimethyl-2H-imidazole
SMILESCCCCC1N(C)C=CN1C
InChIInChI=1S/C9H18N2/c1-4-5-6-9-10(2)7-8-11(9)3/h7-9H,4-6H2,1-3H3
InChIKeyIMOYEZVQGGRQHK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.85
Rot. Bonds3

About 2-butyl-1,3-dimethyl-2H-imidazole

2-butyl-1,3-dimethyl-2H-imidazole (PubChem CID 23140777) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-butyl-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name2-butyl-1,3-dimethyl-2H-imidazole
PubChem CID23140777
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-butyl-1,3-dimethyl-2H-imidazole
SMILESCCCCC1N(C)C=CN1C
InChIInChI=1S/C9H18N2/c1-4-5-6-9-10(2)7-8-11(9)3/h7-9H,4-6H2,1-3H3
InChIKeyIMOYEZVQGGRQHK-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-3-methylimidazolium Bromide
CID 25153273
1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Methyl-3-[5-(3-methyl-2-methylideneimidazol-1-yl)pentyl]imidazole-2-selone
CID 177646805
1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1-Pentyl-3-methylimidazole
CID 19604648
2,3-Dimethyl-1-butylimidazole
CID 2782664
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-methyl-3-octadecyl-2H-imidazole
CID 18183998
1-Decyl-3-methylimidazole
CID 18513308

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dimethyl-2H-imidazole?
The IUPAC name of 2-butyl-1,3-dimethyl-2H-imidazole (CID 23140777) is 2-butyl-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 2-butyl-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 2-butyl-1,3-dimethyl-2H-imidazole is CCCCC1N(C)C=CN1C.
What is the InChIKey of 2-butyl-1,3-dimethyl-2H-imidazole?
The InChIKey is IMOYEZVQGGRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-9-10(2)7-8-11(9)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-butyl-1,3-dimethyl-2H-imidazole?
2-butyl-1,3-dimethyl-2H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 23140777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).