4,5-dihydro-1H-imidazole-2-carboxamide

C4H7N3O — CID 1382042

IUPAC4,5-dihydro-1H-imidazole-2-carboxamide
SMILESNC(=O)C1=NCCN1
InChIInChI=1S/C4H7N3O/c5-3(8)4-6-1-2-7-4/h1-2H2,(H2,5,8)(H,6,7)
InChIKeyHMEROXQXWQOSPH-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.53
Rot. Bonds1

About 4,5-dihydro-1H-imidazole-2-carboxamide

4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 1382042) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID1382042
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4,5-dihydro-1H-imidazole-2-carboxamide
SMILESNC(=O)C1=NCCN1
InChIInChI=1S/C4H7N3O/c5-3(8)4-6-1-2-7-4/h1-2H2,(H2,5,8)(H,6,7)
InChIKeyHMEROXQXWQOSPH-UHFFFAOYSA-N
XLogP-1.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 4,5-dihydro-1H-imidazole-2-carboxamide (CID 1382042) is 4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 4,5-dihydro-1H-imidazole-2-carboxamide is NC(=O)C1=NCCN1.
What is the InChIKey of 4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is HMEROXQXWQOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-3(8)4-6-1-2-7-4/h1-2H2,(H2,5,8)(H,6,7).
What are the key properties of 4,5-dihydro-1H-imidazole-2-carboxamide?
4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 113.12 g/mol, XLogP of -1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 1382042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).