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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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).