2-(1H-imidazol-5-yl)ethylcarbamic acid

C6H9N3O2 — CID 58787590

IUPAC2-(1H-imidazol-5-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c10-6(11)8-2-1-5-3-7-4-9-5/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyWQESEKFJJJXKOC-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.22
Rot. Bonds3

About 2-(1H-imidazol-5-yl)ethylcarbamic acid

2-(1H-imidazol-5-yl)ethylcarbamic acid (PubChem CID 58787590) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethylcarbamic acid
PubChem CID58787590
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(1H-imidazol-5-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c10-6(11)8-2-1-5-3-7-4-9-5/h3-4,8H,1-2H2,(H,7,9)(H,10,11)
InChIKeyWQESEKFJJJXKOC-UHFFFAOYSA-N
XLogP0.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(1H-imidazol-5-yl)ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(1H-imidazol-5-yl)ethylcarbamic acid (CID 58787590) is 2-(1H-imidazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethylcarbamic acid is O=C(O)NCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethylcarbamic acid?
The InChIKey is WQESEKFJJJXKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-6(11)8-2-1-5-3-7-4-9-5/h3-4,8H,1-2H2,(H,7,9)(H,10,11).
What are the key properties of 2-(1H-imidazol-5-yl)ethylcarbamic acid?
2-(1H-imidazol-5-yl)ethylcarbamic acid has a molecular weight of 155.16 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 58787590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).