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

C19H36N2 — CID 66723308

IUPAC4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)C
InChIInChI=1S/C19H36N2/c1-9-12-13-18(6,7)16-15(14(4)5)20-17(21-16)19(8,10-2)11-3/h14H,9-13H2,1-8H3,(H,20,21)
InChIKeyXKGCVRPATIWQFZ-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.08
Rot. Bonds8

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

4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole (PubChem CID 66723308) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
PubChem CID66723308
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)C
InChIInChI=1S/C19H36N2/c1-9-12-13-18(6,7)16-15(14(4)5)20-17(21-16)19(8,10-2)11-3/h14H,9-13H2,1-8H3,(H,20,21)
InChIKeyXKGCVRPATIWQFZ-UHFFFAOYSA-N
XLogP6.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66722987
4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66723143
5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 159059126
2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
CID 66723113
4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
CID 66723108
5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole
CID 66723353
2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
CID 66723300
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
2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66722943
5-(2-methylbutan-2-yl)-2,4-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722905
4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
CID 66723018

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole (CID 66723308) is 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole is CCCCC(C)(C)c1nc(C(C)(CC)CC)[nH]c1C(C)C.
What is the InChIKey of 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole?
The InChIKey is XKGCVRPATIWQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-9-12-13-18(6,7)16-15(14(4)5)20-17(21-16)19(8,10-2)11-3/h14H,9-13H2,1-8H3,(H,20,21).
What are the key properties of 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole?
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole has a molecular weight of 292.51 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 66723308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).