1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide

C15H20N4O — CID 107498921

IUPAC1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C15H20N4O/c1-2-12-5-3-4-6-13(12)9-17-15(20)14-10-19(8-7-16)11-18-14/h3-6,10-11H,2,7-9,16H2,1H3,(H,17,20)
InChIKeyNGIZDJRGWVNLST-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.33
Rot. Bonds6

About 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide (PubChem CID 107498921) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
PubChem CID107498921
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C15H20N4O/c1-2-12-5-3-4-6-13(12)9-17-15(20)14-10-19(8-7-16)11-18-14/h3-6,10-11H,2,7-9,16H2,1H3,(H,17,20)
InChIKeyNGIZDJRGWVNLST-UHFFFAOYSA-N
XLogP1.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694
1-(2-aminoethyl)-N-[(2-bromophenyl)methyl]imidazole-4-carboxamide
CID 107497860
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
1-(2-aminoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107497846
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
CID 107498968
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790
2-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 107499474
1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
CID 107498083
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide (CID 107498921) is 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide is CCc1ccccc1CNC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide?
The InChIKey is NGIZDJRGWVNLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12-5-3-4-6-13(12)9-17-15(20)14-10-19(8-7-16)11-18-14/h3-6,10-11H,2,7-9,16H2,1H3,(H,17,20).
What are the key properties of 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 107498921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).