2-methylidene-4-propan-2-yl-1,3-dihydroimidazole

C7H12N2 — CID 59749573

IUPAC2-methylidene-4-propan-2-yl-1,3-dihydroimidazole
SMILESC=C1NC=C(C(C)C)N1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-8-6(3)9-7/h4-5,8-9H,3H2,1-2H3
InChIKeyYZZYJIORHVGCNQ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.15
Rot. Bonds1

About 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole

2-methylidene-4-propan-2-yl-1,3-dihydroimidazole (PubChem CID 59749573) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole.

Molecular Properties

Compound Name2-methylidene-4-propan-2-yl-1,3-dihydroimidazole
PubChem CID59749573
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methylidene-4-propan-2-yl-1,3-dihydroimidazole
SMILESC=C1NC=C(C(C)C)N1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-8-6(3)9-7/h4-5,8-9H,3H2,1-2H3
InChIKeyYZZYJIORHVGCNQ-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole?
The IUPAC name of 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole (CID 59749573) is 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole.
What is the SMILES notation for 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole?
The canonical SMILES for 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole is C=C1NC=C(C(C)C)N1.
What is the InChIKey of 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole?
The InChIKey is YZZYJIORHVGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)7-4-8-6(3)9-7/h4-5,8-9H,3H2,1-2H3.
What are the key properties of 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole?
2-methylidene-4-propan-2-yl-1,3-dihydroimidazole has a molecular weight of 124.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-propan-2-yl-1,3-dihydroimidazole is sourced from PubChem (CID 59749573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).