3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine

C15H21N3O3 — CID 62019037

IUPAC3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine
SMILESCCCn1cnc(-c2ccc(OC)c(OC)c2OC)c1N
InChIInChI=1S/C15H21N3O3/c1-5-8-18-9-17-12(15(18)16)10-6-7-11(19-2)14(21-4)13(10)20-3/h6-7,9H,5,8,16H2,1-4H3
InChIKeyKTKZKEXZWATCEA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.57
Rot. Bonds6

About 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine

3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine (PubChem CID 62019037) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine
PubChem CID62019037
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine
SMILESCCCn1cnc(-c2ccc(OC)c(OC)c2OC)c1N
InChIInChI=1S/C15H21N3O3/c1-5-8-18-9-17-12(15(18)16)10-6-7-11(19-2)14(21-4)13(10)20-3/h6-7,9H,5,8,16H2,1-4H3
InChIKeyKTKZKEXZWATCEA-UHFFFAOYSA-N
XLogP2.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
5-(3,4-dimethoxyphenyl)-3-propylimidazol-4-amine
CID 62018479
5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine
CID 62131367
3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
CID 62019246
5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
CID 62019600
5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine
CID 62016981
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
5-(2-chlorophenyl)-3-propylimidazol-4-amine
CID 62017724
5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
CID 65022689
5-(2-chloro-3,4-dimethoxyphenyl)-3-cyclopropylimidazol-4-amine
CID 63632385
3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62018117

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine (CID 62019037) is 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine is CCCn1cnc(-c2ccc(OC)c(OC)c2OC)c1N.
What is the InChIKey of 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine?
The InChIKey is KTKZKEXZWATCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-8-18-9-17-12(15(18)16)10-6-7-11(19-2)14(21-4)13(10)20-3/h6-7,9H,5,8,16H2,1-4H3.
What are the key properties of 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine?
3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 291.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62019037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).