3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine

C22H27N3 — CID 113232523

IUPAC3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
SMILESCc1cc(C)c(-c2nc(C(C)C)n(Cc3ccccc3)c2N)c(C)c1
InChIInChI=1S/C22H27N3/c1-14(2)22-24-20(19-16(4)11-15(3)12-17(19)5)21(23)25(22)13-18-9-7-6-8-10-18/h6-12,14H,13,23H2,1-5H3
InChIKeyMFDXKYWOSKIRTI-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.23
Rot. Bonds4

About 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine

3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine (PubChem CID 113232523) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
PubChem CID113232523
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
SMILESCc1cc(C)c(-c2nc(C(C)C)n(Cc3ccccc3)c2N)c(C)c1
InChIInChI=1S/C22H27N3/c1-14(2)22-24-20(19-16(4)11-15(3)12-17(19)5)21(23)25(22)13-18-9-7-6-8-10-18/h6-12,14H,13,23H2,1-5H3
InChIKeyMFDXKYWOSKIRTI-UHFFFAOYSA-N
XLogP5.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 113228766
1-benzyl-4,6-dimethylbenzimidazol-2-amine
CID 91671833
1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole
CID 167352865
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
2-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617577
3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327
3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
CID 113228770
2-methyl-3-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 62223948
8-methyl-2-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617283
3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220345
3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 63468172

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The IUPAC name of 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine (CID 113232523) is 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine is Cc1cc(C)c(-c2nc(C(C)C)n(Cc3ccccc3)c2N)c(C)c1.
What is the InChIKey of 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
The InChIKey is MFDXKYWOSKIRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-14(2)22-24-20(19-16(4)11-15(3)12-17(19)5)21(23)25(22)13-18-9-7-6-8-10-18/h6-12,14H,13,23H2,1-5H3.
What are the key properties of 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine?
3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine has a molecular weight of 333.48 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine is sourced from PubChem (CID 113232523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).