1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine

C18H21N3 — CID 79498143

IUPAC1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H21N3/c1-13-8-9-16(14(2)10-13)17-11-20-18(19)21(17)12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H2,19,20)
InChIKeyXBMDOFBLASRFPS-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.18
Rot. Bonds3

About 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine

1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79498143) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79498143
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(C2CN=C(N)N2Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H21N3/c1-13-8-9-16(14(2)10-13)17-11-20-18(19)21(17)12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H2,19,20)
InChIKeyXBMDOFBLASRFPS-UHFFFAOYSA-N
XLogP3.18
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-2-(4-tert-butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole
CID 9949568
[(5S)-1-[2-(1-naphthyl)ethyl]-5-sec-butyl-2-imidazolin-2-yl]amine
CID 23640878
(3R,4aR,7S)-3-(4-methylphenyl)-7-(2-phenylethyl)-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidin-1-amine;hydrochloride
CID 76321609
(5S)-5-[4-(2-amino-4,5-dihydroimidazol-1-yl)butyl]-1-[2-(3-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 145963265
2-Benzhydryliminoimidazolidine
CID 12503392
2-Imidazoline, 1-(2-(diethylamino)ethyl)-2-methyl-5-p-tolyl-
CID 60533
[(5S)-5-benzyl-1-(4-cyclohexylbutyl)-2-imidazolin-2-yl]amine
CID 16682572
(5S)-5-benzyl-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
CID 16682573
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682613
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682614
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
CID 16682615
(5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
CID 23640798

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine (CID 79498143) is 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine is Cc1ccc(C2CN=C(N)N2Cc2ccccc2)c(C)c1.
What is the InChIKey of 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XBMDOFBLASRFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-8-9-16(14(2)10-13)17-11-20-18(19)21(17)12-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H2,19,20).
What are the key properties of 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine?
1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).