1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide

C14H18N4O2 — CID 107495666

IUPAC1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-13(20-2)11(7-10)17-14(19)12-8-18(6-5-15)9-16-12/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19)
InChIKeyZQJRXQDDWJBPTB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.41
Rot. Bonds5

About 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide (PubChem CID 107495666) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
PubChem CID107495666
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-13(20-2)11(7-10)17-14(19)12-8-18(6-5-15)9-16-12/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19)
InChIKeyZQJRXQDDWJBPTB-UHFFFAOYSA-N
XLogP1.41
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(5-bromo-2-methoxyphenyl)imidazole-4-carboxamide
CID 107497941
1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
CID 107496194
1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide
CID 107625841
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
5-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104642218
N-(2-methoxy-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267595
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
5-(ethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104639774
N-(2-methoxy-5-methylphenyl)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681625

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide (CID 107495666) is 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide?
The InChIKey is ZQJRXQDDWJBPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-4-13(20-2)11(7-10)17-14(19)12-8-18(6-5-15)9-16-12/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107495666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).