N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide

C6H11N3O — CID 86024330

IUPACN-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide
SMILESO=CNCCN1C=NCC1
InChIInChI=1S/C6H11N3O/c10-6-8-2-4-9-3-1-7-5-9/h5-6H,1-4H2,(H,8,10)
InChIKeyFBMQYCZERQFIEY-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.92
Rot. Bonds4

About N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide

N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide (PubChem CID 86024330) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide
PubChem CID86024330
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide
SMILESO=CNCCN1C=NCC1
InChIInChI=1S/C6H11N3O/c10-6-8-2-4-9-3-1-7-5-9/h5-6H,1-4H2,(H,8,10)
InChIKeyFBMQYCZERQFIEY-UHFFFAOYSA-N
XLogP-0.92
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide (CID 86024330) is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide is O=CNCCN1C=NCC1.
What is the InChIKey of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide?
The InChIKey is FBMQYCZERQFIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c10-6-8-2-4-9-3-1-7-5-9/h5-6H,1-4H2,(H,8,10).
What are the key properties of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide?
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide has a molecular weight of 141.17 g/mol, XLogP of -0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide is sourced from PubChem (CID 86024330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).