2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate

C14H17N3O3 — CID 139970374

IUPAC2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCn1ccnc1CO
InChIInChI=1S/C14H17N3O3/c18-11-13-15-6-7-17(13)8-9-20-14(19)16-10-12-4-2-1-3-5-12/h1-7,18H,8-11H2,(H,16,19)
InChIKeyJLBYDOYFUMKARK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.30
Rot. Bonds6

About 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate

2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate (PubChem CID 139970374) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate
PubChem CID139970374
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCn1ccnc1CO
InChIInChI=1S/C14H17N3O3/c18-11-13-15-6-7-17(13)8-9-20-14(19)16-10-12-4-2-1-3-5-12/h1-7,18H,8-11H2,(H,16,19)
InChIKeyJLBYDOYFUMKARK-UHFFFAOYSA-N
XLogP1.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate?
The IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate (CID 139970374) is 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate.
What is the SMILES notation for 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate?
The canonical SMILES for 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate is O=C(NCc1ccccc1)OCCn1ccnc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate?
The InChIKey is JLBYDOYFUMKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-11-13-15-6-7-17(13)8-9-20-14(19)16-10-12-4-2-1-3-5-12/h1-7,18H,8-11H2,(H,16,19).
What are the key properties of 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate?
2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate has a molecular weight of 275.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)imidazol-1-yl]ethyl N-benzylcarbamate is sourced from PubChem (CID 139970374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).