2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine

C16H21N3O — CID 62498321

IUPAC2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cccc(OCCC)c2)c1N
InChIInChI=1S/C16H21N3O/c1-4-9-19-12(3)18-15(16(19)17)13-7-6-8-14(11-13)20-10-5-2/h4,6-8,11H,1,5,9-10,17H2,2-3H3
InChIKeyWWMWWDQWEYOCMW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.42
Rot. Bonds6

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

2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine (PubChem CID 62498321) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
PubChem CID62498321
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cccc(OCCC)c2)c1N
InChIInChI=1S/C16H21N3O/c1-4-9-19-12(3)18-15(16(19)17)13-7-6-8-14(11-13)20-10-5-2/h4,6-8,11H,1,5,9-10,17H2,2-3H3
InChIKeyWWMWWDQWEYOCMW-UHFFFAOYSA-N
XLogP3.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Etodesnitazene
CID 149797386
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
CID 5289228
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
2-(4-Methoxy-phenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 16682547
Trifenagrel
CID 72164
[1-(4-m-Tolyloxy-butyl)-1H-benzoimidazol-2-yl]-methanol
CID 3155847
1,3-Bis-(4-ethoxy-phenyl)-2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 16681898
2-(2-ethoxyphenyl)-6-methyl-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 135475879
8-Cyclopentyl-2-(2-ethoxy-phenyl)-6-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 135723513
3-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
CID 913193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine?
The IUPAC name of 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine (CID 62498321) is 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine?
The canonical SMILES for 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine is C=CCn1c(C)nc(-c2cccc(OCCC)c2)c1N.
What is the InChIKey of 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine?
The InChIKey is WWMWWDQWEYOCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-9-19-12(3)18-15(16(19)17)13-7-6-8-14(11-13)20-10-5-2/h4,6-8,11H,1,5,9-10,17H2,2-3H3.
What are the key properties of 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine?
2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62498321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).