4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole

C23H44N2 — CID 66722853

IUPAC4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CCCCC)[nH]1
InChIInChI=1S/C23H44N2/c1-10-12-14-16-22(6,7)19-18(21(3,4)5)24-20(25-19)23(8,9)17-15-13-11-2/h10-17H2,1-9H3,(H,24,25)
InChIKeySMBKGOVYSYVJRY-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.42
Rot. Bonds10

About 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole

4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole (PubChem CID 66722853) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole
PubChem CID66722853
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CCCCC)[nH]1
InChIInChI=1S/C23H44N2/c1-10-12-14-16-22(6,7)19-18(21(3,4)5)24-20(25-19)23(8,9)17-15-13-11-2/h10-17H2,1-9H3,(H,24,25)
InChIKeySMBKGOVYSYVJRY-UHFFFAOYSA-N
XLogP7.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2,5-bis(2-methylheptan-2-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 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole?
The IUPAC name of 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole (CID 66722853) is 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole.
What is the SMILES notation for 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole?
The canonical SMILES for 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole is CCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CCCCC)[nH]1.
What is the InChIKey of 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole?
The InChIKey is SMBKGOVYSYVJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-10-12-14-16-22(6,7)19-18(21(3,4)5)24-20(25-19)23(8,9)17-15-13-11-2/h10-17H2,1-9H3,(H,24,25).
What are the key properties of 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole?
4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole has a molecular weight of 348.62 g/mol, XLogP of 7.42, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole is sourced from PubChem (CID 66722853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).