[6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate

C11H9Cl2N3O2 — CID 54358908

IUPAC[6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nc2ccc(C(Cl)=CCl)cc2[nH]1
InChIInChI=1S/C11H9Cl2N3O2/c1-14-11(17)18-10-15-8-3-2-6(7(13)5-12)4-9(8)16-10/h2-5H,1H3,(H,14,17)(H,15,16)
InChIKeyULBREAZTSYCGBM-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.06
Rot. Bonds2

About [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate

[6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate (PubChem CID 54358908) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate
PubChem CID54358908
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name[6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate
SMILESCNC(=O)Oc1nc2ccc(C(Cl)=CCl)cc2[nH]1
InChIInChI=1S/C11H9Cl2N3O2/c1-14-11(17)18-10-15-8-3-2-6(7(13)5-12)4-9(8)16-10/h2-5H,1H3,(H,14,17)(H,15,16)
InChIKeyULBREAZTSYCGBM-UHFFFAOYSA-N
XLogP3.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate
CID 91254377
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484
2-formyl-3H-benzimidazole-5-carbonyl chloride
CID 130881700
[6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
CID 91469283
[6-[1-hydroxy-2-(2-methylphenyl)-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl] N-methylcarbamate
CID 91240783
ethyl 2-(chloromethyl)-3H-benzimidazole-5-carboxylate;hydrochloride
CID 166000746
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
CID 24799637
[6-(pyridin-3-ylmethyl)-1H-benzimidazol-2-yl] hydrogen carbonate
CID 70472758
2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 83949197
N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide
CID 11356474
(6-but-2-enylsulfinyl-1H-benzimidazol-2-yl) carbamate
CID 70609822

Frequently Asked Questions

What is the IUPAC name of [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate?
The IUPAC name of [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate (CID 54358908) is [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate.
What is the SMILES notation for [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate?
The canonical SMILES for [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate is CNC(=O)Oc1nc2ccc(C(Cl)=CCl)cc2[nH]1.
What is the InChIKey of [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate?
The InChIKey is ULBREAZTSYCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-14-11(17)18-10-15-8-3-2-6(7(13)5-12)4-9(8)16-10/h2-5H,1H3,(H,14,17)(H,15,16).
What are the key properties of [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate?
[6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate has a molecular weight of 286.12 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2-dichloroethenyl)-1H-benzimidazol-2-yl] N-methylcarbamate is sourced from PubChem (CID 54358908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).