N-(1H-imidazol-2-yl)formamide

C4H5N3O — CID 18376592

IUPACN-(1H-imidazol-2-yl)formamide
SMILESO=CNc1ncc[nH]1
InChIInChI=1S/C4H5N3O/c8-3-7-4-5-1-2-6-4/h1-3H,(H2,5,6,7,8)
InChIKeySMXZQOMVCREYNY-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.02
Rot. Bonds2

About N-(1H-imidazol-2-yl)formamide

N-(1H-imidazol-2-yl)formamide (PubChem CID 18376592) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)formamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)formamide
PubChem CID18376592
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC NameN-(1H-imidazol-2-yl)formamide
SMILESO=CNc1ncc[nH]1
InChIInChI=1S/C4H5N3O/c8-3-7-4-5-1-2-6-4/h1-3H,(H2,5,6,7,8)
InChIKeySMXZQOMVCREYNY-UHFFFAOYSA-N
XLogP-0.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)formamide?
The IUPAC name of N-(1H-imidazol-2-yl)formamide (CID 18376592) is N-(1H-imidazol-2-yl)formamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)formamide?
The canonical SMILES for N-(1H-imidazol-2-yl)formamide is O=CNc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)formamide?
The InChIKey is SMXZQOMVCREYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c8-3-7-4-5-1-2-6-4/h1-3H,(H2,5,6,7,8).
What are the key properties of N-(1H-imidazol-2-yl)formamide?
N-(1H-imidazol-2-yl)formamide has a molecular weight of 111.10 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)formamide is sourced from PubChem (CID 18376592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).