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

C12H22N2 — CID 172728467

IUPAC4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole
SMILESCCCC(C)(C)c1nc[nH]c1C(C)C
InChIInChI=1S/C12H22N2/c1-6-7-12(4,5)11-10(9(2)3)13-8-14-11/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyHLUQDGSBWZVKHM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.61
Rot. Bonds4

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

4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole (PubChem CID 172728467) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole
PubChem CID172728467
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole
SMILESCCCC(C)(C)c1nc[nH]c1C(C)C
InChIInChI=1S/C12H22N2/c1-6-7-12(4,5)11-10(9(2)3)13-8-14-11/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyHLUQDGSBWZVKHM-UHFFFAOYSA-N
XLogP3.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 59706661
5-(3-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723031
4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723647
5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole
CID 143089702
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308
2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
CID 66723300
5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole
CID 66723609
5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole
CID 66723353
2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
CID 172810677
2-(2-methylpentan-2-yl)-6-propan-2-ylpyridine
CID 129015517
4-propan-2-yl-5-propyl-1H-pyrimidin-6-one
CID 136692838
2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
CID 66723113

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole (CID 172728467) is 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole is CCCC(C)(C)c1nc[nH]c1C(C)C.
What is the InChIKey of 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole?
The InChIKey is HLUQDGSBWZVKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-7-12(4,5)11-10(9(2)3)13-8-14-11/h8-9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole?
4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 172728467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).