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

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Related Compounds

2-methyl-4,5-dipropyl-1H-imidazole
CID 20156512
2,4,5-tripropyl-1H-imidazole
CID 24974633
4-ethyl-2-methyl-5-propyl-1H-imidazole
CID 67591389
2,4,5-tributyl-1H-imidazole
CID 90214593
4,5-ditert-butyl-1H-imidazol-2-amine
CID 139230318
1-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-3-fluoropropan-2-amine
CID 23343261
4-(4,5-dipentyl-1H-imidazol-2-yl)-3,5-difluorohepta-1,6-dien-4-amine
CID 70520828
5-methyl-4-(2-methylpropyl)-2-(trifluoromethyl)-1H-imidazole
CID 117554301
2-methyl-5-pentyl-4-(trifluoromethyl)-1H-imidazole
CID 141873715
2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole
CID 146376892
2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377853
2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146378019

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).