3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide

C16H11BrN4O2 — CID 60541866

IUPAC3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C16H11BrN4O2/c17-13-9-3-1-2-4-10(9)19-14(13)15(22)18-8-5-6-11-12(7-8)21-16(23)20-11/h1-7,19H,(H,18,22)(H2,20,21,23)
InChIKeyXIZRWGJXJCVONI-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.35
Rot. Bonds2

About 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide

3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 60541866) has the molecular formula C16H11BrN4O2 and a molecular weight of 371.19 g/mol. Its IUPAC name is 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
PubChem CID60541866
Molecular FormulaC16H11BrN4O2
Molecular Weight371.19 g/mol
Exact Mass370.01
IUPAC Name3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C16H11BrN4O2/c17-13-9-3-1-2-4-10(9)19-14(13)15(22)18-8-5-6-11-12(7-8)21-16(23)20-11/h1-7,19H,(H,18,22)(H2,20,21,23)
InChIKeyXIZRWGJXJCVONI-UHFFFAOYSA-N
XLogP3.35
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-1H-indol-2-yl)(2,3-dihydro-1H-indol-1-yl)methanone
CID 7693269
N-[2-[1-(4-bromophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46938541
N-(2-(4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide
CID 44438310
N-[(1S)-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]-1H-indole-2-carboxamide
CID 53470148
N-(1-benzylpyrrolidin-3-yl)-5-bromo-1H-indole-2-carboxamide
CID 42883946
N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 29199609
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-5-carboxamide
CID 172435763
3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24959785
4-fluoro-7-methyl-N-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-1H-indole-2-carboxamide
CID 169637374
4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 31401014
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 31887530
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide (CID 60541866) is 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1[nH]c2ccccc2c1Br.
What is the InChIKey of 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is XIZRWGJXJCVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O2/c17-13-9-3-1-2-4-10(9)19-14(13)15(22)18-8-5-6-11-12(7-8)21-16(23)20-11/h1-7,19H,(H,18,22)(H2,20,21,23).
What are the key properties of 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide?
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 371.19 g/mol, XLogP of 3.35, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 60541866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).