1-(2,3-dimethylpentyl)imidazole

C10H18N2 — CID 91321632

IUPAC1-(2,3-dimethylpentyl)imidazole
SMILESCCC(C)C(C)Cn1ccnc1
InChIInChI=1S/C10H18N2/c1-4-9(2)10(3)7-12-6-5-11-8-12/h5-6,8-10H,4,7H2,1-3H3
InChIKeySVCXLDXJOWLNAA-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.57
Rot. Bonds4

About 1-(2,3-dimethylpentyl)imidazole

1-(2,3-dimethylpentyl)imidazole (PubChem CID 91321632) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(2,3-dimethylpentyl)imidazole.

Molecular Properties

Compound Name1-(2,3-dimethylpentyl)imidazole
PubChem CID91321632
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(2,3-dimethylpentyl)imidazole
SMILESCCC(C)C(C)Cn1ccnc1
InChIInChI=1S/C10H18N2/c1-4-9(2)10(3)7-12-6-5-11-8-12/h5-6,8-10H,4,7H2,1-3H3
InChIKeySVCXLDXJOWLNAA-UHFFFAOYSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)imidazole
CID 59161437
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
1-(2-nitrobutyl)imidazole
CID 4916532
[(2R)-1-imidazol-1-ylpropan-2-yl] acetate
CID 124636711
1-imidazol-1-ylpentan-2-amine
CID 62041882
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
1-ethylimidazole;hydroiodide
CID 66751695

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentyl)imidazole?
The IUPAC name of 1-(2,3-dimethylpentyl)imidazole (CID 91321632) is 1-(2,3-dimethylpentyl)imidazole.
What is the SMILES notation for 1-(2,3-dimethylpentyl)imidazole?
The canonical SMILES for 1-(2,3-dimethylpentyl)imidazole is CCC(C)C(C)Cn1ccnc1.
What is the InChIKey of 1-(2,3-dimethylpentyl)imidazole?
The InChIKey is SVCXLDXJOWLNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9(2)10(3)7-12-6-5-11-8-12/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylpentyl)imidazole?
1-(2,3-dimethylpentyl)imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentyl)imidazole is sourced from PubChem (CID 91321632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).