1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride

C20H25ClN2 — CID 141084950

IUPAC1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
SMILESCC1=C(C)N(Cc2ccccc2)C(C)N1Cc1ccccc1.Cl
InChIInChI=1S/C20H24N2.ClH/c1-16-17(2)22(15-20-12-8-5-9-13-20)18(3)21(16)14-19-10-6-4-7-11-19;/h4-13,18H,14-15H2,1-3H3;1H
InChIKeyQUTZUSOREROZON-UHFFFAOYSA-N
MW328.89 g/mol
LogP5.02
Rot. Bonds4

About 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride

1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride (PubChem CID 141084950) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
PubChem CID141084950
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
SMILESCC1=C(C)N(Cc2ccccc2)C(C)N1Cc1ccccc1.Cl
InChIInChI=1S/C20H24N2.ClH/c1-16-17(2)22(15-20-12-8-5-9-13-20)18(3)21(16)14-19-10-6-4-7-11-19;/h4-13,18H,14-15H2,1-3H3;1H
InChIKeyQUTZUSOREROZON-UHFFFAOYSA-N
XLogP5.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.89
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodec-1(7)-ene
CID 142760875
1-benzyl-2,3-dimethyl-2H-imidazole
CID 20534969
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
CID 102537098
3-benzyl-2-methyl-2H-1,3-benzothiazole;hydrobromide
CID 172789323
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 7289774
(2S)-1-benzyl-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
CID 26885866
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
CID 15624083

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride?
The IUPAC name of 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride (CID 141084950) is 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride.
What is the SMILES notation for 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride?
The canonical SMILES for 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride is CC1=C(C)N(Cc2ccccc2)C(C)N1Cc1ccccc1.Cl.
What is the InChIKey of 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride?
The InChIKey is QUTZUSOREROZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.ClH/c1-16-17(2)22(15-20-12-8-5-9-13-20)18(3)21(16)14-19-10-6-4-7-11-19;/h4-13,18H,14-15H2,1-3H3;1H.
What are the key properties of 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride?
1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 141084950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).