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

C24H46N2 — CID 66723143

IUPAC4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)(C)CCCC
InChIInChI=1S/C24H46N2/c1-10-14-16-18-23(7,8)20-19(22(5,6)17-15-11-2)25-21(26-20)24(9,12-3)13-4/h10-18H2,1-9H3,(H,25,26)
InChIKeyYEYAYKXDGSUCPW-UHFFFAOYSA-N
MW362.65 g/mol
LogP7.81
Rot. Bonds12

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

4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole (PubChem CID 66723143) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
PubChem CID66723143
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)(C)CCCC
InChIInChI=1S/C24H46N2/c1-10-14-16-18-23(7,8)20-19(22(5,6)17-15-11-2)25-21(26-20)24(9,12-3)13-4/h10-18H2,1-9H3,(H,25,26)
InChIKeyYEYAYKXDGSUCPW-UHFFFAOYSA-N
XLogP7.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole with MolForge

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Related Compounds

5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 159059126
5-(2-methylbutan-2-yl)-2,4-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722905
2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66722943
4-tert-butyl-2-(2-methylheptan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 162062572
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308
5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66722987
4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
CID 66723018
2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole
CID 174693367
2-(2-methylheptan-2-yl)-4-(2-methylhexan-2-yl)-5-propyl-1H-imidazole
CID 89497192
2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 66723586
2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
CID 66723183
4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723647

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
The IUPAC name of 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole (CID 66723143) is 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole.
What is the SMILES notation for 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
The canonical SMILES for 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole is CCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)(C)CCCC.
What is the InChIKey of 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
The InChIKey is YEYAYKXDGSUCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-10-14-16-18-23(7,8)20-19(22(5,6)17-15-11-2)25-21(26-20)24(9,12-3)13-4/h10-18H2,1-9H3,(H,25,26).
What are the key properties of 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole?
4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole has a molecular weight of 362.65 g/mol, XLogP of 7.81, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole is sourced from PubChem (CID 66723143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).