3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine

C20H23N3O — CID 113229441

IUPAC3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1cccc(-c2nc(C)n(Cc3ccccc3)c2N)c1
InChIInChI=1S/C20H23N3O/c1-3-12-24-18-11-7-10-17(13-18)19-20(21)23(15(2)22-19)14-16-8-5-4-6-9-16/h4-11,13H,3,12,14,21H2,1-2H3
InChIKeyCCCYFPHICCSGGW-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.28
Rot. Bonds6

About 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine

3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine (PubChem CID 113229441) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
PubChem CID113229441
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1cccc(-c2nc(C)n(Cc3ccccc3)c2N)c1
InChIInChI=1S/C20H23N3O/c1-3-12-24-18-11-7-10-17(13-18)19-20(21)23(15(2)22-19)14-16-8-5-4-6-9-16/h4-11,13H,3,12,14,21H2,1-2H3
InChIKeyCCCYFPHICCSGGW-UHFFFAOYSA-N
XLogP4.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
CID 62496137
2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498321
2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498489
2-ethyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 55079214
8-methyl-2-(3-propoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617454
2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine
CID 62498658
2-cyclopropyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 62498323
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495773
2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495772
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105125

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine (CID 113229441) is 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine is CCCOc1cccc(-c2nc(C)n(Cc3ccccc3)c2N)c1.
What is the InChIKey of 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine?
The InChIKey is CCCYFPHICCSGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-12-24-18-11-7-10-17(13-18)19-20(21)23(15(2)22-19)14-16-8-5-4-6-9-16/h4-11,13H,3,12,14,21H2,1-2H3.
What are the key properties of 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine?
3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine has a molecular weight of 321.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 113229441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).