N-[2-(1H-imidazol-2-yl)ethyl]formamide

C6H9N3O — CID 57094248

IUPACN-[2-(1H-imidazol-2-yl)ethyl]formamide
SMILESO=CNCCc1ncc[nH]1
InChIInChI=1S/C6H9N3O/c10-5-7-2-1-6-8-3-4-9-6/h3-5H,1-2H2,(H,7,10)(H,8,9)
InChIKeyXINYRQIDMVUIHY-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.30
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]formamide

N-[2-(1H-imidazol-2-yl)ethyl]formamide (PubChem CID 57094248) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]formamide
PubChem CID57094248
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]formamide
SMILESO=CNCCc1ncc[nH]1
InChIInChI=1S/C6H9N3O/c10-5-7-2-1-6-8-3-4-9-6/h3-5H,1-2H2,(H,7,10)(H,8,9)
InChIKeyXINYRQIDMVUIHY-UHFFFAOYSA-N
XLogP-0.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide
CID 59286194
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
2-(1H-imidazol-2-yl)ethanol
CID 15016080
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
4-(1H-imidazol-2-yl)but-1-en-1-one
CID 91534358
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
CID 113267585
2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639435
3-(1H-imidazol-2-ylmethylamino)propane-1-sulfonic acid
CID 82676006
2-(1H-imidazol-2-yl)ethanol;hydrobromide
CID 175547099
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]formamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]formamide (CID 57094248) is N-[2-(1H-imidazol-2-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]formamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]formamide is O=CNCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]formamide?
The InChIKey is XINYRQIDMVUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-5-7-2-1-6-8-3-4-9-6/h3-5H,1-2H2,(H,7,10)(H,8,9).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]formamide?
N-[2-(1H-imidazol-2-yl)ethyl]formamide has a molecular weight of 139.16 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]formamide is sourced from PubChem (CID 57094248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).