(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate

C10H11N3O3 — CID 22745182

IUPAC(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O3/c1-11-10(15)16-5-6-2-3-7-8(4-6)13-9(14)12-7/h2-4H,5H2,1H3,(H,11,15)(H2,12,13,14)
InChIKeyHDCMOQRRACSZSS-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.71
Rot. Bonds2

About (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate

(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate (PubChem CID 22745182) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
PubChem CID22745182
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O3/c1-11-10(15)16-5-6-2-3-7-8(4-6)13-9(14)12-7/h2-4H,5H2,1H3,(H,11,15)(H2,12,13,14)
InChIKeyHDCMOQRRACSZSS-UHFFFAOYSA-N
XLogP0.71
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745192
5-[(4-aminophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926027
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
[4-(chloroamino)phenyl]methyl N-methylcarbamate
CID 139307114
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926363
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate
CID 175154839
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate?
The IUPAC name of (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate (CID 22745182) is (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate.
What is the SMILES notation for (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate?
The canonical SMILES for (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate is CNC(=O)OCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate?
The InChIKey is HDCMOQRRACSZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-11-10(15)16-5-6-2-3-7-8(4-6)13-9(14)12-7/h2-4H,5H2,1H3,(H,11,15)(H2,12,13,14).
What are the key properties of (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate?
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate has a molecular weight of 221.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate is sourced from PubChem (CID 22745182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).