ethyl N-(1H-benzimidazol-2-yl)carbamate

C10H11N3O2 — CID 22752

IUPACethyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,11,12,13,14)
InChIKeyOKOVSTKGUBOSTB-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.13
Rot. Bonds2

About ethyl N-(1H-benzimidazol-2-yl)carbamate

ethyl N-(1H-benzimidazol-2-yl)carbamate (PubChem CID 22752) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl N-(1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-benzimidazol-2-yl)carbamate
PubChem CID22752
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,11,12,13,14)
InChIKeyOKOVSTKGUBOSTB-UHFFFAOYSA-N
XLogP2.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-benzimidazol-2-yl)carbamate?
The IUPAC name of ethyl N-(1H-benzimidazol-2-yl)carbamate (CID 22752) is ethyl N-(1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(1H-benzimidazol-2-yl)carbamate is CCOC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of ethyl N-(1H-benzimidazol-2-yl)carbamate?
The InChIKey is OKOVSTKGUBOSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of ethyl N-(1H-benzimidazol-2-yl)carbamate?
ethyl N-(1H-benzimidazol-2-yl)carbamate has a molecular weight of 205.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 22752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).