1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide

C15H20N4O — CID 107497434

IUPAC1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(CCN)cn1)c1cccc(C)c1
InChIInChI=1S/C15H20N4O/c1-3-19(13-6-4-5-12(2)9-13)15(20)14-10-18(8-7-16)11-17-14/h4-6,9-11H,3,7-8,16H2,1-2H3
InChIKeyZPHFQMVFRMXWSE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide (PubChem CID 107497434) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide
PubChem CID107497434
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(CCN)cn1)c1cccc(C)c1
InChIInChI=1S/C15H20N4O/c1-3-19(13-6-4-5-12(2)9-13)15(20)14-10-18(8-7-16)11-17-14/h4-6,9-11H,3,7-8,16H2,1-2H3
InChIKeyZPHFQMVFRMXWSE-UHFFFAOYSA-N
XLogP1.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-3-hydroxy-N-(3-methylphenyl)pyridine-2-carboxamide
CID 61104536
N-ethyl-1-methyl-N-(3-methylphenyl)indole-2-carboxamide
CID 113207113
N-ethyl-N-(3-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182897
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186597
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
6-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109355332

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide (CID 107497434) is 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide is CCN(C(=O)c1cn(CCN)cn1)c1cccc(C)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide?
The InChIKey is ZPHFQMVFRMXWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19(13-6-4-5-12(2)9-13)15(20)14-10-18(8-7-16)11-17-14/h4-6,9-11H,3,7-8,16H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107497434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).