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

C12H22N2 — CID 123809146

IUPAC5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole
SMILESCCCC(C)C(CC)c1ncc(C)[nH]1
InChIInChI=1S/C12H22N2/c1-5-7-9(3)11(6-2)12-13-8-10(4)14-12/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeySRTOMNLIJAXLRZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.65
Rot. Bonds5

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

5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole (PubChem CID 123809146) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole
PubChem CID123809146
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole
SMILESCCCC(C)C(CC)c1ncc(C)[nH]1
InChIInChI=1S/C12H22N2/c1-5-7-9(3)11(6-2)12-13-8-10(4)14-12/h8-9,11H,5-7H2,1-4H3,(H,13,14)
InChIKeySRTOMNLIJAXLRZ-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hexan-3-yl-5-methyl-1H-imidazole
CID 170149364
2-(5-methyl-1H-imidazol-2-yl)butan-1-ol
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(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol
CID 96735034
CID 175233051
CID 175233051
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72847742
2,5-dimethyl-1H-imidazole;ethanol
CID 175070090
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 126432423
2-cyclopentyl-1-(5-methyl-1H-imidazol-2-yl)ethanamine
CID 82401692
4-hydroxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 99973871
4-hydroxy-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 77084654
2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
CID 99961287

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole?
The IUPAC name of 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole (CID 123809146) is 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole is CCCC(C)C(CC)c1ncc(C)[nH]1.
What is the InChIKey of 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole?
The InChIKey is SRTOMNLIJAXLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-9(3)11(6-2)12-13-8-10(4)14-12/h8-9,11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole?
5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylheptan-3-yl)-1H-imidazole is sourced from PubChem (CID 123809146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).