6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide

C16H10Br2N4O — CID 130275024

IUPAC6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H10Br2N4O/c17-9-2-1-8-5-14(19-12(8)6-9)15(23)22-16-20-11-4-3-10(18)7-13(11)21-16/h1-7,19H,(H2,20,21,22,23)
InChIKeyHYLHNVXZAFJLRW-UHFFFAOYSA-N
MW434.09 g/mol
LogP4.82
Rot. Bonds2

About 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide

6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 130275024) has the molecular formula C16H10Br2N4O and a molecular weight of 434.09 g/mol. Its IUPAC name is 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide
PubChem CID130275024
Molecular FormulaC16H10Br2N4O
Molecular Weight434.09 g/mol
Exact Mass431.92
IUPAC Name6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H10Br2N4O/c17-9-2-1-8-5-14(19-12(8)6-9)15(23)22-16-20-11-4-3-10(18)7-13(11)21-16/h1-7,19H,(H2,20,21,22,23)
InChIKeyHYLHNVXZAFJLRW-UHFFFAOYSA-N
XLogP4.82
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.09
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-Benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
CID 2392375
1-[(3R)-1-[(5-bromo-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-2-ethyl-1H-1,3-benzodiazole
CID 24776355
N-(1H-benzimidazol-2-yl)-3-bromobenzamide
CID 2083985
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)acetamide
CID 2437788
5-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide
CID 118648668
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-indole-2-carboxamide
CID 118725855
4-bromo-N-[[3-[(6-bromobenzimidazol-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 155562566
N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-4-bromobenzamide
CID 4806687
N-{[2-(1H-Benzoimidazol-2-yl)-ethylcarbamoyl]-methyl}-4-bromo-benzamide
CID 1833437
N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-4-bromobenzamide
CID 3011124
4-[(6-bromo-1H-benzimidazol-2-yl)amino]-N-(cyclopropylmethyl)benzamide
CID 11958560
N-[3-[(E)-3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-bromobenzamide
CID 145976311

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide (CID 130275024) is 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide is O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is HYLHNVXZAFJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N4O/c17-9-2-1-8-5-14(19-12(8)6-9)15(23)22-16-20-11-4-3-10(18)7-13(11)21-16/h1-7,19H,(H2,20,21,22,23).
What are the key properties of 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide?
6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 434.09 g/mol, XLogP of 4.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-bromo-1H-benzimidazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 130275024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).