3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine

C21H23N3 — CID 113228770

IUPAC3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2nc(C3CC3)n(Cc3ccccc3)c2N)c(C)c1
InChIInChI=1S/C21H23N3/c1-14-8-11-18(15(2)12-14)19-20(22)24(21(23-19)17-9-10-17)13-16-6-4-3-5-7-16/h3-8,11-12,17H,9-10,13,22H2,1-2H3
InChIKeyGEWQKKKGZITWCE-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.67
Rot. Bonds4

About 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine

3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine (PubChem CID 113228770) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
PubChem CID113228770
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2nc(C3CC3)n(Cc3ccccc3)c2N)c(C)c1
InChIInChI=1S/C21H23N3/c1-14-8-11-18(15(2)12-14)19-20(22)24(21(23-19)17-9-10-17)13-16-6-4-3-5-7-16/h3-8,11-12,17H,9-10,13,22H2,1-2H3
InChIKeyGEWQKKKGZITWCE-UHFFFAOYSA-N
XLogP4.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine
CID 62220013
3-benzyl-2-cyclopropyl-5-ethylimidazol-4-amine
CID 55048885
3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine
CID 113463505
1-benzyl-3-(2,4-dimethylphenyl)pyrazol-4-amine
CID 83203407
3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine
CID 62220576
2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 55048790
3-benzyl-5-butan-2-yl-2-cyclopropylimidazol-4-amine
CID 62218283
2-cyclopentyl-5-(2-methylphenyl)-3-propylimidazol-4-amine
CID 62219175
3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine
CID 107133492
3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 113232523
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone
CID 7989086
1-benzyl-4,6-dimethylbenzimidazol-2-amine
CID 91671833

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
The IUPAC name of 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine (CID 113228770) is 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine is Cc1ccc(-c2nc(C3CC3)n(Cc3ccccc3)c2N)c(C)c1.
What is the InChIKey of 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
The InChIKey is GEWQKKKGZITWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-14-8-11-18(15(2)12-14)19-20(22)24(21(23-19)17-9-10-17)13-16-6-4-3-5-7-16/h3-8,11-12,17H,9-10,13,22H2,1-2H3.
What are the key properties of 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine?
3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine has a molecular weight of 317.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-cyclopropyl-5-(2,4-dimethylphenyl)imidazol-4-amine is sourced from PubChem (CID 113228770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).