1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide

C14H18N4O — CID 107495717

IUPAC1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(CCN)cn1)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-18(12-6-4-3-5-7-12)14(19)13-10-17(9-8-15)11-16-13/h3-7,10-11H,2,8-9,15H2,1H3
InChIKeyIARDODOCQMHJNY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.51
Rot. Bonds5

About 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide

1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide (PubChem CID 107495717) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
PubChem CID107495717
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(CCN)cn1)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-18(12-6-4-3-5-7-12)14(19)13-10-17(9-8-15)11-16-13/h3-7,10-11H,2,8-9,15H2,1H3
InChIKeyIARDODOCQMHJNY-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide
CID 107497434
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 107498349
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
CID 107495803
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
3-N,4-N-diethyl-1-methyl-3-N,4-N-diphenylpyrazole-3,4-dicarboxamide
CID 29097744
1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
CID 107497382
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882
2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19623365
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
CID 107974128

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide (CID 107495717) is 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide is CCN(C(=O)c1cn(CCN)cn1)c1ccccc1.
What is the InChIKey of 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide?
The InChIKey is IARDODOCQMHJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-18(12-6-4-3-5-7-12)14(19)13-10-17(9-8-15)11-16-13/h3-7,10-11H,2,8-9,15H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide?
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.51, 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-phenylimidazole-4-carboxamide is sourced from PubChem (CID 107495717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).