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

C9H16N2 — CID 69014805

IUPAC4-butyl-3-methyl-2-methylidene-1H-imidazole
SMILESC=C1NC=C(CCCC)N1C
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7-10-8(2)11(9)3/h7,10H,2,4-6H2,1,3H3
InChIKeyGCYZROMTEIDMMZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.02
Rot. Bonds3

About 4-butyl-3-methyl-2-methylidene-1H-imidazole

4-butyl-3-methyl-2-methylidene-1H-imidazole (PubChem CID 69014805) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-butyl-3-methyl-2-methylidene-1H-imidazole.

Molecular Properties

Compound Name4-butyl-3-methyl-2-methylidene-1H-imidazole
PubChem CID69014805
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-butyl-3-methyl-2-methylidene-1H-imidazole
SMILESC=C1NC=C(CCCC)N1C
InChIInChI=1S/C9H16N2/c1-4-5-6-9-7-10-8(2)11(9)3/h7,10H,2,4-6H2,1,3H3
InChIKeyGCYZROMTEIDMMZ-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-2-methylidene-1H-imidazole?
The IUPAC name of 4-butyl-3-methyl-2-methylidene-1H-imidazole (CID 69014805) is 4-butyl-3-methyl-2-methylidene-1H-imidazole.
What is the SMILES notation for 4-butyl-3-methyl-2-methylidene-1H-imidazole?
The canonical SMILES for 4-butyl-3-methyl-2-methylidene-1H-imidazole is C=C1NC=C(CCCC)N1C.
What is the InChIKey of 4-butyl-3-methyl-2-methylidene-1H-imidazole?
The InChIKey is GCYZROMTEIDMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-6-9-7-10-8(2)11(9)3/h7,10H,2,4-6H2,1,3H3.
What are the key properties of 4-butyl-3-methyl-2-methylidene-1H-imidazole?
4-butyl-3-methyl-2-methylidene-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-2-methylidene-1H-imidazole is sourced from PubChem (CID 69014805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).