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

C23H15Br2N3O — CID 122181300

IUPAC[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone
SMILESCn1cc(-c2nc3ccccc3n2C(=O)c2ccccc2Br)c2cc(Br)ccc21
InChIInChI=1S/C23H15Br2N3O/c1-27-13-17(16-12-14(24)10-11-20(16)27)22-26-19-8-4-5-9-21(19)28(22)23(29)15-6-2-3-7-18(15)25/h2-13H,1H3
InChIKeyRKBJAIHCBXNEIP-UHFFFAOYSA-N
MW509.20 g/mol
LogP6.41
Rot. Bonds2

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

[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone (PubChem CID 122181300) has the molecular formula C23H15Br2N3O and a molecular weight of 509.20 g/mol. Its IUPAC name is [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone.

Molecular Properties

Compound Name[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone
PubChem CID122181300
Molecular FormulaC23H15Br2N3O
Molecular Weight509.20 g/mol
Exact Mass506.96
IUPAC Name[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone
SMILESCn1cc(-c2nc3ccccc3n2C(=O)c2ccccc2Br)c2cc(Br)ccc21
InChIInChI=1S/C23H15Br2N3O/c1-27-13-17(16-12-14(24)10-11-20(16)27)22-26-19-8-4-5-9-21(19)28(22)23(29)15-6-2-3-7-18(15)25/h2-13H,1H3
InChIKeyRKBJAIHCBXNEIP-UHFFFAOYSA-N
XLogP6.41
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.20
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone?
The IUPAC name of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone (CID 122181300) is [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone.
What is the SMILES notation for [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone?
The canonical SMILES for [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone is Cn1cc(-c2nc3ccccc3n2C(=O)c2ccccc2Br)c2cc(Br)ccc21.
What is the InChIKey of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone?
The InChIKey is RKBJAIHCBXNEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2N3O/c1-27-13-17(16-12-14(24)10-11-20(16)27)22-26-19-8-4-5-9-21(19)28(22)23(29)15-6-2-3-7-18(15)25/h2-13H,1H3.
What are the key properties of [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone?
[2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone has a molecular weight of 509.20 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(2-bromophenyl)methanone is sourced from PubChem (CID 122181300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).