5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide

C15H20N4O2 — CID 59994531

IUPAC5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide
SMILESCCc1c(CCn2cnc(C(N)=O)c2N)cccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-11-10(5-4-6-12(11)21-2)7-8-19-9-18-13(14(19)16)15(17)20/h4-6,9H,3,7-8,16H2,1-2H3,(H2,17,20)
InChIKeyDJBXUQZSGGLSKG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.38
Rot. Bonds6

About 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide

5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide (PubChem CID 59994531) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide
PubChem CID59994531
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide
SMILESCCc1c(CCn2cnc(C(N)=O)c2N)cccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-11-10(5-4-6-12(11)21-2)7-8-19-9-18-13(14(19)16)15(17)20/h4-6,9H,3,7-8,16H2,1-2H3,(H2,17,20)
InChIKeyDJBXUQZSGGLSKG-UHFFFAOYSA-N
XLogP1.38
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-[2-(2-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545766
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene
CID 142992772
methyl 5-amino-1-[2-(3-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544802
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
methyl 5-amino-1-[2-(3-methylphenoxy)ethyl]imidazole-4-carboxylate
CID 103544901
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
3-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 146380303
5-(2,6-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402103
5-amino-1-methylimidazole-4-carboxamide;hydrochloride
CID 73011411
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide (CID 59994531) is 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide is CCc1c(CCn2cnc(C(N)=O)c2N)cccc1OC.
What is the InChIKey of 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is DJBXUQZSGGLSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-11-10(5-4-6-12(11)21-2)7-8-19-9-18-13(14(19)16)15(17)20/h4-6,9H,3,7-8,16H2,1-2H3,(H2,17,20).
What are the key properties of 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide?
5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-ethyl-3-methoxyphenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 59994531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).