2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine

C16H23N3O — CID 62498489

IUPAC2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1cccc(-c2nc(CC)n(CC)c2N)c1
InChIInChI=1S/C16H23N3O/c1-4-10-20-13-9-7-8-12(11-13)15-16(17)19(6-3)14(5-2)18-15/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyIBVQHJRCSCQOEX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.50
Rot. Bonds6

About 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine

2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine (PubChem CID 62498489) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine
PubChem CID62498489
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1cccc(-c2nc(CC)n(CC)c2N)c1
InChIInChI=1S/C16H23N3O/c1-4-10-20-13-9-7-8-12(11-13)15-16(17)19(6-3)14(5-2)18-15/h7-9,11H,4-6,10,17H2,1-3H3
InChIKeyIBVQHJRCSCQOEX-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 55079214
2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
CID 62496137
2,3-diethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62225267
2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498321
3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 113229441
2,3-diethyl-5-naphthalen-2-ylimidazol-4-amine
CID 62225265
2-cyclopropyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 62498323
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
4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine
CID 62507421
2-ethyl-5-naphthalen-2-yl-3-propylimidazol-4-amine
CID 62224711
5-(3,5-dichlorophenyl)-2,3-diethylimidazol-4-amine
CID 62226580

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine?
The IUPAC name of 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine (CID 62498489) is 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine?
The canonical SMILES for 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine is CCCOc1cccc(-c2nc(CC)n(CC)c2N)c1.
What is the InChIKey of 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine?
The InChIKey is IBVQHJRCSCQOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-20-13-9-7-8-12(11-13)15-16(17)19(6-3)14(5-2)18-15/h7-9,11H,4-6,10,17H2,1-3H3.
What are the key properties of 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine?
2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-(3-propoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62498489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).