5-methylidene-3-propan-2-yl-4H-imidazole

C7H12N2 — CID 158509626

IUPAC5-methylidene-3-propan-2-yl-4H-imidazole
SMILESC=C1CN(C(C)C)C=N1
InChIInChI=1S/C7H12N2/c1-6(2)9-4-7(3)8-5-9/h5-6H,3-4H2,1-2H3
InChIKeyJAYJYXYUVDXOFZ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds1

About 5-methylidene-3-propan-2-yl-4H-imidazole

5-methylidene-3-propan-2-yl-4H-imidazole (PubChem CID 158509626) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-methylidene-3-propan-2-yl-4H-imidazole.

Molecular Properties

Compound Name5-methylidene-3-propan-2-yl-4H-imidazole
PubChem CID158509626
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-methylidene-3-propan-2-yl-4H-imidazole
SMILESC=C1CN(C(C)C)C=N1
InChIInChI=1S/C7H12N2/c1-6(2)9-4-7(3)8-5-9/h5-6H,3-4H2,1-2H3
InChIKeyJAYJYXYUVDXOFZ-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Dimethylaminomethyleneamino-3-dimethylaminopropene
CID 129800192
1-Prop-1-en-2-yl-4,5-dihydroimidazole
CID 12159152
1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
CID 23175353
1,2-dimethyl-5-methylidene-4H-imidazole
CID 53868890
1-But-2-en-2-yl-4,5-dihydroimidazole
CID 67796429
1-methyl-5-methylidene-4H-imidazole
CID 67978393
3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole
CID 91189446
4,5-Dimethylidene-1-propan-2-ylimidazole
CID 123546523
1,1-Dimethyl-4,5-dimethylideneimidazol-1-ium
CID 123701856
1-Methyl-4,5-dimethylideneimidazole
CID 123744878
5-methylidene-3-propan-2-yl-4H-imidazol-2-amine
CID 126652481
N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 138751746

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-propan-2-yl-4H-imidazole?
The IUPAC name of 5-methylidene-3-propan-2-yl-4H-imidazole (CID 158509626) is 5-methylidene-3-propan-2-yl-4H-imidazole.
What is the SMILES notation for 5-methylidene-3-propan-2-yl-4H-imidazole?
The canonical SMILES for 5-methylidene-3-propan-2-yl-4H-imidazole is C=C1CN(C(C)C)C=N1.
What is the InChIKey of 5-methylidene-3-propan-2-yl-4H-imidazole?
The InChIKey is JAYJYXYUVDXOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)9-4-7(3)8-5-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-methylidene-3-propan-2-yl-4H-imidazole?
5-methylidene-3-propan-2-yl-4H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-propan-2-yl-4H-imidazole is sourced from PubChem (CID 158509626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).