ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate

C10H10BrN3O3 — CID 64592207

IUPACethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
SMILESCCOC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H10BrN3O3/c1-2-17-10(16)14-6-4-8-7(3-5(6)11)12-9(15)13-8/h3-4H,2H2,1H3,(H,14,16)(H2,12,13,15)
InChIKeyXRILMLBTIYKIRI-UHFFFAOYSA-N
MW300.11 g/mol
LogP2.19
Rot. Bonds2

About ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate

ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate (PubChem CID 64592207) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
PubChem CID64592207
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Nameethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
SMILESCCOC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H10BrN3O3/c1-2-17-10(16)14-6-4-8-7(3-5(6)11)12-9(15)13-8/h3-4H,2H2,1H3,(H,14,16)(H2,12,13,15)
InChIKeyXRILMLBTIYKIRI-UHFFFAOYSA-N
XLogP2.19
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 54996085
ethyl 2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-oxoacetate
CID 62374908
(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3,3-dimethylbutanamide
CID 103928868
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 65464224
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
CID 63139661
5-bromo-6-(heptylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741354
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 64686030
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 8677199
ethyl 2-[2-amino-2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 62374568

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate?
The IUPAC name of ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate (CID 64592207) is ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate is CCOC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate?
The InChIKey is XRILMLBTIYKIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c1-2-17-10(16)14-6-4-8-7(3-5(6)11)12-9(15)13-8/h3-4H,2H2,1H3,(H,14,16)(H2,12,13,15).
What are the key properties of ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate?
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate has a molecular weight of 300.11 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate is sourced from PubChem (CID 64592207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).