1,4-dimethyl-5-pentan-3-yl-2-propylimidazole

C13H24N2 — CID 175255669

IUPAC1,4-dimethyl-5-pentan-3-yl-2-propylimidazole
SMILESCCCc1nc(C)c(C(CC)CC)n1C
InChIInChI=1S/C13H24N2/c1-6-9-12-14-10(4)13(15(12)5)11(7-2)8-3/h11H,6-9H2,1-5H3
InChIKeyXSZJTASFUPMVDF-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.58
Rot. Bonds5

About 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole

1,4-dimethyl-5-pentan-3-yl-2-propylimidazole (PubChem CID 175255669) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole.

Molecular Properties

Compound Name1,4-dimethyl-5-pentan-3-yl-2-propylimidazole
PubChem CID175255669
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1,4-dimethyl-5-pentan-3-yl-2-propylimidazole
SMILESCCCc1nc(C)c(C(CC)CC)n1C
InChIInChI=1S/C13H24N2/c1-6-9-12-14-10(4)13(15(12)5)11(7-2)8-3/h11H,6-9H2,1-5H3
InChIKeyXSZJTASFUPMVDF-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-4-phenyl-2-propylimidazole
CID 45097384
2-(1,4,5-trimethylimidazol-2-yl)ethanethiol
CID 154656315
2-(2-ethyl-3-methylbutyl)-1,4,5-trimethylimidazole
CID 144691458
5-tert-butyl-3-methyl-2-propylimidazol-4-amine
CID 62218689
2-(5-ethyl-1-methyl-2-propylimidazol-4-yl)propan-2-ol
CID 118328936
2-ethyl-5-methyl-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazine
CID 12622021
3-chloro-4-pentan-3-yl-5-propyl-1,2,4-triazole
CID 63384290
5-(2,4-dimethylphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62219048
4-methyl-1-(2-methylpropyl)-5-phenyl-2-propylimidazole
CID 167066375
5-(2,3-dimethylphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220287
3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one
CID 141050614
4-butyl-5-hexan-3-yl-1-methyl-1,3,2-diazaborole
CID 174041396

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole?
The IUPAC name of 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole (CID 175255669) is 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole.
What is the SMILES notation for 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole?
The canonical SMILES for 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole is CCCc1nc(C)c(C(CC)CC)n1C.
What is the InChIKey of 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole?
The InChIKey is XSZJTASFUPMVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-9-12-14-10(4)13(15(12)5)11(7-2)8-3/h11H,6-9H2,1-5H3.
What are the key properties of 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole?
1,4-dimethyl-5-pentan-3-yl-2-propylimidazole has a molecular weight of 208.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-pentan-3-yl-2-propylimidazole is sourced from PubChem (CID 175255669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).