1H-imidazol-2-ylmethyl carbamate

C5H7N3O2 — CID 23172617

IUPAC1H-imidazol-2-ylmethyl carbamate
SMILESNC(=O)OCc1ncc[nH]1
InChIInChI=1S/C5H7N3O2/c6-5(9)10-3-4-7-1-2-8-4/h1-2H,3H2,(H2,6,9)(H,7,8)
InChIKeyVYEOBHVTLDJXGD-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.00
Rot. Bonds2

About 1H-imidazol-2-ylmethyl carbamate

1H-imidazol-2-ylmethyl carbamate (PubChem CID 23172617) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethyl carbamate.

Molecular Properties

Compound Name1H-imidazol-2-ylmethyl carbamate
PubChem CID23172617
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1H-imidazol-2-ylmethyl carbamate
SMILESNC(=O)OCc1ncc[nH]1
InChIInChI=1S/C5H7N3O2/c6-5(9)10-3-4-7-1-2-8-4/h1-2H,3H2,(H2,6,9)(H,7,8)
InChIKeyVYEOBHVTLDJXGD-UHFFFAOYSA-N
XLogP0.00
TPSA81.00 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 ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate
CID 129322465
1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
CID 54274629
2-(1H-imidazol-2-ylmethoxy)acetic acid
CID 19766370
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
4-(1H-imidazol-2-yl)-2-oxobutanoic acid
CID 82413460
2-hexadecyl-1H-imidazole;urea
CID 174763574
1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid
CID 175971340
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride
CID 158093289

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethyl carbamate?
The IUPAC name of 1H-imidazol-2-ylmethyl carbamate (CID 23172617) is 1H-imidazol-2-ylmethyl carbamate.
What is the SMILES notation for 1H-imidazol-2-ylmethyl carbamate?
The canonical SMILES for 1H-imidazol-2-ylmethyl carbamate is NC(=O)OCc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-ylmethyl carbamate?
The InChIKey is VYEOBHVTLDJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-5(9)10-3-4-7-1-2-8-4/h1-2H,3H2,(H2,6,9)(H,7,8).
What are the key properties of 1H-imidazol-2-ylmethyl carbamate?
1H-imidazol-2-ylmethyl carbamate has a molecular weight of 141.13 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-ylmethyl carbamate is sourced from PubChem (CID 23172617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).