N-(1,2-dimethylimidazol-4-yl)formamide

C6H9N3O — CID 168980267

IUPACN-(1,2-dimethylimidazol-4-yl)formamide
SMILESCc1nc(NC=O)cn1C
InChIInChI=1S/C6H9N3O/c1-5-8-6(7-4-10)3-9(5)2/h3-4H,1-2H3,(H,7,10)
InChIKeyMEEMADSPHDNBIK-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.30
Rot. Bonds2

About N-(1,2-dimethylimidazol-4-yl)formamide

N-(1,2-dimethylimidazol-4-yl)formamide (PubChem CID 168980267) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(1,2-dimethylimidazol-4-yl)formamide.

Molecular Properties

Compound NameN-(1,2-dimethylimidazol-4-yl)formamide
PubChem CID168980267
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-(1,2-dimethylimidazol-4-yl)formamide
SMILESCc1nc(NC=O)cn1C
InChIInChI=1S/C6H9N3O/c1-5-8-6(7-4-10)3-9(5)2/h3-4H,1-2H3,(H,7,10)
InChIKeyMEEMADSPHDNBIK-UHFFFAOYSA-N
XLogP0.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,2-dimethylimidazol-4-yl)formamide?
The IUPAC name of N-(1,2-dimethylimidazol-4-yl)formamide (CID 168980267) is N-(1,2-dimethylimidazol-4-yl)formamide.
What is the SMILES notation for N-(1,2-dimethylimidazol-4-yl)formamide?
The canonical SMILES for N-(1,2-dimethylimidazol-4-yl)formamide is Cc1nc(NC=O)cn1C.
What is the InChIKey of N-(1,2-dimethylimidazol-4-yl)formamide?
The InChIKey is MEEMADSPHDNBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5-8-6(7-4-10)3-9(5)2/h3-4H,1-2H3,(H,7,10).
What are the key properties of N-(1,2-dimethylimidazol-4-yl)formamide?
N-(1,2-dimethylimidazol-4-yl)formamide has a molecular weight of 139.16 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylimidazol-4-yl)formamide is sourced from PubChem (CID 168980267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).