2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole

C20H38N2 — CID 66722832

IUPAC2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)(C)CC)[nH]c1C(C)(CC)CC
InChIInChI=1S/C20H38N2/c1-10-14-19(7,8)15-16(20(9,12-3)13-4)22-17(21-15)18(5,6)11-2/h10-14H2,1-9H3,(H,21,22)
InChIKeyYZZYWINZMYLXKF-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.25
Rot. Bonds8

About 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole

2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole (PubChem CID 66722832) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
PubChem CID66722832
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)(C)CC)[nH]c1C(C)(CC)CC
InChIInChI=1S/C20H38N2/c1-10-14-19(7,8)15-16(20(9,12-3)13-4)22-17(21-15)18(5,6)11-2/h10-14H2,1-9H3,(H,21,22)
InChIKeyYZZYWINZMYLXKF-UHFFFAOYSA-N
XLogP6.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-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-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The IUPAC name of 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole (CID 66722832) is 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The canonical SMILES for 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole is CCCC(C)(C)c1nc(C(C)(C)CC)[nH]c1C(C)(CC)CC.
What is the InChIKey of 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The InChIKey is YZZYWINZMYLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-10-14-19(7,8)15-16(20(9,12-3)13-4)22-17(21-15)18(5,6)11-2/h10-14H2,1-9H3,(H,21,22).
What are the key properties of 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole is sourced from PubChem (CID 66722832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).