imidazol-1-ylmethylcarbamic acid

C5H7N3O2 — CID 175455215

IUPACimidazol-1-ylmethylcarbamic acid
SMILESO=C(O)NCn1ccnc1
InChIInChI=1S/C5H7N3O2/c9-5(10)7-4-8-2-1-6-3-8/h1-3,7H,4H2,(H,9,10)
InChIKeyZMRNBOYJRJUWRD-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.11
Rot. Bonds2

About imidazol-1-ylmethylcarbamic acid

imidazol-1-ylmethylcarbamic acid (PubChem CID 175455215) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is imidazol-1-ylmethylcarbamic acid.

Molecular Properties

Compound Nameimidazol-1-ylmethylcarbamic acid
PubChem CID175455215
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Nameimidazol-1-ylmethylcarbamic acid
SMILESO=C(O)NCn1ccnc1
InChIInChI=1S/C5H7N3O2/c9-5(10)7-4-8-2-1-6-3-8/h1-3,7H,4H2,(H,9,10)
InChIKeyZMRNBOYJRJUWRD-UHFFFAOYSA-N
XLogP0.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999
2-imidazol-1-ylethylurea
CID 61061185
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
3-imidazol-1-ylpropylurea
CID 22179621
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
CID 63646315

Frequently Asked Questions

What is the IUPAC name of imidazol-1-ylmethylcarbamic acid?
The IUPAC name of imidazol-1-ylmethylcarbamic acid (CID 175455215) is imidazol-1-ylmethylcarbamic acid.
What is the SMILES notation for imidazol-1-ylmethylcarbamic acid?
The canonical SMILES for imidazol-1-ylmethylcarbamic acid is O=C(O)NCn1ccnc1.
What is the InChIKey of imidazol-1-ylmethylcarbamic acid?
The InChIKey is ZMRNBOYJRJUWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c9-5(10)7-4-8-2-1-6-3-8/h1-3,7H,4H2,(H,9,10).
What are the key properties of imidazol-1-ylmethylcarbamic acid?
imidazol-1-ylmethylcarbamic acid has a molecular weight of 141.13 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-ylmethylcarbamic acid is sourced from PubChem (CID 175455215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).