2-(2-methylpropyl)-4,5-dihydro-1H-imidazole

C7H14N2 — CID 12587213

IUPAC2-(2-methylpropyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)CC1=NCCN1
InChIInChI=1S/C7H14N2/c1-6(2)5-7-8-3-4-9-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyACSCPCCHMWGVCG-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.03
Rot. Bonds2

About 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole

2-(2-methylpropyl)-4,5-dihydro-1H-imidazole (PubChem CID 12587213) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-4,5-dihydro-1H-imidazole
PubChem CID12587213
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-(2-methylpropyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)CC1=NCCN1
InChIInChI=1S/C7H14N2/c1-6(2)5-7-8-3-4-9-7/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyACSCPCCHMWGVCG-UHFFFAOYSA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole (CID 12587213) is 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole is CC(C)CC1=NCCN1.
What is the InChIKey of 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ACSCPCCHMWGVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)5-7-8-3-4-9-7/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole?
2-(2-methylpropyl)-4,5-dihydro-1H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12587213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).