1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide

C13H15N5O2 — CID 107497777

IUPAC1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C13H15N5O2/c14-4-5-18-7-11(16-8-18)13(20)17-10-3-1-2-9(6-10)12(15)19/h1-3,6-8H,4-5,14H2,(H2,15,19)(H,17,20)
InChIKeyJBDQUIOUPQOVMA-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.19
Rot. Bonds5

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

1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide (PubChem CID 107497777) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
PubChem CID107497777
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C13H15N5O2/c14-4-5-18-7-11(16-8-18)13(20)17-10-3-1-2-9(6-10)12(15)19/h1-3,6-8H,4-5,14H2,(H2,15,19)(H,17,20)
InChIKeyJBDQUIOUPQOVMA-UHFFFAOYSA-N
XLogP0.19
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
CID 107583520
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
CID 107499813
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-hydroxybenzoic acid
CID 107499979

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide (CID 107497777) is 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide?
The InChIKey is JBDQUIOUPQOVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-4-5-18-7-11(16-8-18)13(20)17-10-3-1-2-9(6-10)12(15)19/h1-3,6-8H,4-5,14H2,(H2,15,19)(H,17,20).
What are the key properties of 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107497777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).