[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate

C16H12BrN3O4 — CID 24661454

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate
SMILESO=C(COC(=O)c1ccccc1Br)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12BrN3O4/c17-11-4-2-1-3-10(11)15(22)24-8-14(21)18-9-5-6-12-13(7-9)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23)
InChIKeyCNTNQWLUEQLKGW-UHFFFAOYSA-N
MW390.19 g/mol
LogP2.41
Rot. Bonds4

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate (PubChem CID 24661454) has the molecular formula C16H12BrN3O4 and a molecular weight of 390.19 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate
PubChem CID24661454
Molecular FormulaC16H12BrN3O4
Molecular Weight390.19 g/mol
Exact Mass389.00
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate
SMILESO=C(COC(=O)c1ccccc1Br)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H12BrN3O4/c17-11-4-2-1-3-10(11)15(22)24-8-14(21)18-9-5-6-12-13(7-9)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23)
InChIKeyCNTNQWLUEQLKGW-UHFFFAOYSA-N
XLogP2.41
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(diethylamino)benzoate
CID 2100528
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-bromobenzoate
CID 24671767
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] benzoate
CID 8106910
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-chlorobenzoate
CID 24983170
2-Oxo-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)amino]ethyl 2-chlorobenzoate
CID 24661317
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,4-difluorobenzoate
CID 2100457
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,6-difluorobenzoate
CID 2100586
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate
CID 16284378
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dichlorobenzoate
CID 24661447
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethylbenzoate
CID 16255983
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-fluorobenzoate
CID 24661321
[2-Oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylsulfanylbenzoate
CID 16259912

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate (CID 24661454) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate is O=C(COC(=O)c1ccccc1Br)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate?
The InChIKey is CNTNQWLUEQLKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O4/c17-11-4-2-1-3-10(11)15(22)24-8-14(21)18-9-5-6-12-13(7-9)20-16(23)19-12/h1-7H,8H2,(H,18,21)(H2,19,20,23).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate has a molecular weight of 390.19 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-bromobenzoate is sourced from PubChem (CID 24661454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).