2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole

C13H18N2 — CID 175140303

IUPAC2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole
SMILESCCC1CN(C)C(Cc2ccccc2)=N1
InChIInChI=1S/C13H18N2/c1-3-12-10-15(2)13(14-12)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeyWSBYMGUCMPVKOH-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.35
Rot. Bonds3

About 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole

2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole (PubChem CID 175140303) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole
PubChem CID175140303
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole
SMILESCCC1CN(C)C(Cc2ccccc2)=N1
InChIInChI=1S/C13H18N2/c1-3-12-10-15(2)13(14-12)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeyWSBYMGUCMPVKOH-UHFFFAOYSA-N
XLogP2.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole;ethylsulfamic acid
CID 175589184
3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine
CID 14978261
azane;1,2,4-tribenzyl-4,5-dihydroimidazole
CID 175325787
[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol
CID 91584546
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
(4R)-1-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-4,5-dihydroimidazole
CID 142070498
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
1-(2-benzyl-3-methyl-4,5-dihydro-1,3-diazepin-6-yl)propan-1-one
CID 144959880
(2S,5S,8S)-1,4-dibenzyl-7-[2-[(2S,5S,8S)-4,7-dibenzyl-2,5,8-triethyl-1,4,7-triazonan-1-yl]ethyl]-2,5,8-triethyl-1,4,7-triazonane
CID 171735293
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
(2R)-2-benzyl-1-methylaziridine
CID 87174257
phenyl(113C)methylbenzene
CID 11194569

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole (CID 175140303) is 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole is CCC1CN(C)C(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole?
The InChIKey is WSBYMGUCMPVKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-12-10-15(2)13(14-12)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3.
What are the key properties of 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole?
2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole has a molecular weight of 202.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 175140303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).