[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone

C24H18BrN3O2 — CID 122181297

IUPAC[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)cc1
InChIInChI=1S/C24H18BrN3O2/c1-27-14-19(18-13-16(25)9-12-21(18)27)23-26-20-5-3-4-6-22(20)28(23)24(29)15-7-10-17(30-2)11-8-15/h3-14H,1-2H3
InChIKeyUNMQYPPGCWRNNT-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.65
Rot. Bonds3

About [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone

[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 122181297) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID122181297
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC Name[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)cc1
InChIInChI=1S/C24H18BrN3O2/c1-27-14-19(18-13-16(25)9-12-21(18)27)23-26-20-5-3-4-6-22(20)28(23)24(29)15-7-10-17(30-2)11-8-15/h3-14H,1-2H3
InChIKeyUNMQYPPGCWRNNT-UHFFFAOYSA-N
XLogP5.65
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone (CID 122181297) is [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)cc1.
What is the InChIKey of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is UNMQYPPGCWRNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c1-27-14-19(18-13-16(25)9-12-21(18)27)23-26-20-5-3-4-6-22(20)28(23)24(29)15-7-10-17(30-2)11-8-15/h3-14H,1-2H3.
What are the key properties of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 460.33 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 122181297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).