1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide

C15H20N4O2 — CID 107496194

IUPAC1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2cn(CCN)cn2)c1C
InChIInChI=1S/C15H20N4O2/c1-10-4-5-12(11(2)14(10)21-3)18-15(20)13-8-19(7-6-16)9-17-13/h4-5,8-9H,6-7,16H2,1-3H3,(H,18,20)
InChIKeyNKLLMISGSFPCFO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.72
Rot. Bonds5

About 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide (PubChem CID 107496194) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
PubChem CID107496194
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2cn(CCN)cn2)c1C
InChIInChI=1S/C15H20N4O2/c1-10-4-5-12(11(2)14(10)21-3)18-15(20)13-8-19(7-6-16)9-17-13/h4-5,8-9H,6-7,16H2,1-3H3,(H,18,20)
InChIKeyNKLLMISGSFPCFO-UHFFFAOYSA-N
XLogP1.72
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
CID 107495666
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
1-(2-aminoethyl)-N-(5-bromo-2-methoxyphenyl)imidazole-4-carboxamide
CID 107497941
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
1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide
CID 107625841
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
CID 107499014
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
5-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 107246554

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide (CID 107496194) is 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide is COc1c(C)ccc(NC(=O)c2cn(CCN)cn2)c1C.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide?
The InChIKey is NKLLMISGSFPCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-4-5-12(11(2)14(10)21-3)18-15(20)13-8-19(7-6-16)9-17-13/h4-5,8-9H,6-7,16H2,1-3H3,(H,18,20).
What are the key properties of 1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.72, 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-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).