4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole

C9H16N2 — CID 59751500

IUPAC4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole
SMILESC=C1NC=C(CC(C)(C)C)N1
InChIInChI=1S/C9H16N2/c1-7-10-6-8(11-7)5-9(2,3)4/h6,10-11H,1,5H2,2-4H3
InChIKeySEUCEZMKSHPGOO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.93
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole

4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole (PubChem CID 59751500) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole
PubChem CID59751500
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole
SMILESC=C1NC=C(CC(C)(C)C)N1
InChIInChI=1S/C9H16N2/c1-7-10-6-8(11-7)5-9(2,3)4/h6,10-11H,1,5H2,2-4H3
InChIKeySEUCEZMKSHPGOO-UHFFFAOYSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole (CID 59751500) is 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole is C=C1NC=C(CC(C)(C)C)N1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole?
The InChIKey is SEUCEZMKSHPGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-10-6-8(11-7)5-9(2,3)4/h6,10-11H,1,5H2,2-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole?
4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole has a molecular weight of 152.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-methylidene-1,3-dihydroimidazole is sourced from PubChem (CID 59751500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).