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

C11H13N3O2 — CID 18590006

IUPACethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
SMILESCCOC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)12-7-10-13-8-5-3-4-6-9(8)14-10/h3-6H,2,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyKWTZPCXYWLUTKU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.81
Rot. Bonds3

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

ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate (PubChem CID 18590006) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
PubChem CID18590006
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
SMILESCCOC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)12-7-10-13-8-5-3-4-6-9(8)14-10/h3-6H,2,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyKWTZPCXYWLUTKU-UHFFFAOYSA-N
XLogP1.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 113220506
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
1H-benzimidazol-2-ylmethyl N-(ethoxymethyl)carbamate
CID 171659147
ethyl N-[3-(1H-benzimidazol-2-yl)propanoylamino]carbamate
CID 43042112
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
ethyl 4-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 21008849
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate
CID 114464444
ethyl 3-(1H-benzimidazol-2-ylmethylsulfamoyl)propanoate
CID 78991615

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
The IUPAC name of ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate (CID 18590006) is ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate is CCOC(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
The InChIKey is KWTZPCXYWLUTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-11(15)12-7-10-13-8-5-3-4-6-9(8)14-10/h3-6H,2,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 1.81, 3 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-ylmethyl)carbamate is sourced from PubChem (CID 18590006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).