N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

C5H7N3O2 — CID 45120546

IUPACN-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-6-4(9)3-2-7-5(10)8-3/h2H,1H3,(H,6,9)(H2,7,8,10)
InChIKeyCKVZPEGBVVXKBK-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.94
Rot. Bonds1

About N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 45120546) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID45120546
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameN-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-6-4(9)3-2-7-5(10)8-3/h2H,1H3,(H,6,9)(H2,7,8,10)
InChIKeyCKVZPEGBVVXKBK-UHFFFAOYSA-N
XLogP-0.94
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 45120546) is N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is CKVZPEGBVVXKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-4(9)3-2-7-5(10)8-3/h2H,1H3,(H,6,9)(H2,7,8,10).
What are the key properties of N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 45120546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).