N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C11H12N4O2 — CID 55167232

IUPACN-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNCc1cccc(NC(=O)c2c[nH]c(=O)[nH]2)c1
InChIInChI=1S/C11H12N4O2/c12-5-7-2-1-3-8(4-7)14-10(16)9-6-13-11(17)15-9/h1-4,6H,5,12H2,(H,14,16)(H2,13,15,17)
InChIKeyFAAJSVNZSPVZCO-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.41
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 55167232) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID55167232
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNCc1cccc(NC(=O)c2c[nH]c(=O)[nH]2)c1
InChIInChI=1S/C11H12N4O2/c12-5-7-2-1-3-8(4-7)14-10(16)9-6-13-11(17)15-9/h1-4,6H,5,12H2,(H,14,16)(H2,13,15,17)
InChIKeyFAAJSVNZSPVZCO-UHFFFAOYSA-N
XLogP0.41
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid
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N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
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N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
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1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide
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N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 55167232) is N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is NCc1cccc(NC(=O)c2c[nH]c(=O)[nH]2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is FAAJSVNZSPVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-5-7-2-1-3-8(4-7)14-10(16)9-6-13-11(17)15-9/h1-4,6H,5,12H2,(H,14,16)(H2,13,15,17).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 55167232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).