2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole

C20H38N2 — CID 174693367

IUPAC2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(CCCC)[nH]c1C(C)(C)CC
InChIInChI=1S/C20H38N2/c1-8-11-13-15-20(6,7)18-17(19(4,5)10-3)21-16(22-18)14-12-9-2/h8-15H2,1-7H3,(H,21,22)
InChIKeyUSGRENFELGFSIO-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.30
Rot. Bonds10

About 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole

2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole (PubChem CID 174693367) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole
PubChem CID174693367
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(CCCC)[nH]c1C(C)(C)CC
InChIInChI=1S/C20H38N2/c1-8-11-13-15-20(6,7)18-17(19(4,5)10-3)21-16(22-18)14-12-9-2/h8-15H2,1-7H3,(H,21,22)
InChIKeyUSGRENFELGFSIO-UHFFFAOYSA-N
XLogP6.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylbutan-2-yl)-2,4-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722905
5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 159059126
4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66723143
4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
CID 66723018
2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66722943
2-(2-methylheptan-2-yl)-4-(2-methylhexan-2-yl)-5-propyl-1H-imidazole
CID 89497192
4-tert-butyl-2-(2-methylheptan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 162062572
5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66722987
2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
CID 172810677
4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723647
2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
CID 66723183
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole?
The IUPAC name of 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole (CID 174693367) is 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole?
The canonical SMILES for 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole is CCCCCC(C)(C)c1nc(CCCC)[nH]c1C(C)(C)CC.
What is the InChIKey of 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole?
The InChIKey is USGRENFELGFSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-8-11-13-15-20(6,7)18-17(19(4,5)10-3)21-16(22-18)14-12-9-2/h8-15H2,1-7H3,(H,21,22).
What are the key properties of 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole?
2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole is sourced from PubChem (CID 174693367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).