4-butyl-2,5-dimethyl-1H-imidazole

C9H16N2 — CID 22258300

IUPAC4-butyl-2,5-dimethyl-1H-imidazole
SMILESCCCCc1nc(C)[nH]c1C
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyLPGSEMAIIPISIX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.37
Rot. Bonds3

About 4-butyl-2,5-dimethyl-1H-imidazole

4-butyl-2,5-dimethyl-1H-imidazole (PubChem CID 22258300) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-butyl-2,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name4-butyl-2,5-dimethyl-1H-imidazole
PubChem CID22258300
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-butyl-2,5-dimethyl-1H-imidazole
SMILESCCCCc1nc(C)[nH]c1C
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyLPGSEMAIIPISIX-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyano-2-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]guanidine
CID 12769844
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
1H-Imidazole, 4,4'-methylenebis(5-methyl-2-undecyl-
CID 13548040
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 69238739
2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 44582978
2-[(E)-heptadec-8-enyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 44582979
4,4'-Methylene-bis(2-ethyl-5-methylimidazole)
CID 13685304
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 71695304
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 13170819
5-Ethyl-4-methyl-1H-imidazol-2-amine
CID 64981566
(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 96635921
1H-Benzimidazole, 2-butyl-4,5,6,7-tetrahydro-
CID 10511534

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,5-dimethyl-1H-imidazole?
The IUPAC name of 4-butyl-2,5-dimethyl-1H-imidazole (CID 22258300) is 4-butyl-2,5-dimethyl-1H-imidazole.
What is the SMILES notation for 4-butyl-2,5-dimethyl-1H-imidazole?
The canonical SMILES for 4-butyl-2,5-dimethyl-1H-imidazole is CCCCc1nc(C)[nH]c1C.
What is the InChIKey of 4-butyl-2,5-dimethyl-1H-imidazole?
The InChIKey is LPGSEMAIIPISIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-9-7(2)10-8(3)11-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-butyl-2,5-dimethyl-1H-imidazole?
4-butyl-2,5-dimethyl-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,5-dimethyl-1H-imidazole is sourced from PubChem (CID 22258300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).