2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

C23H19N3O — CID 5048144

IUPAC2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCc5ccccc54)ccc32)c1
InChIInChI=1S/C23H19N3O/c1-16-5-4-7-19(13-16)26-15-24-20-14-18(9-10-22(20)26)23(27)25-12-11-17-6-2-3-8-21(17)25/h2-10,13-15H,11-12H2,1H3
InChIKeyOIPVVLYOWNHGHE-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.54
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone

2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (PubChem CID 5048144) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
PubChem CID5048144
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cccc(-n2cnc3cc(C(=O)N4CCc5ccccc54)ccc32)c1
InChIInChI=1S/C23H19N3O/c1-16-5-4-7-19(13-16)26-15-24-20-14-18(9-10-22(20)26)23(27)25-12-11-17-6-2-3-8-21(17)25/h2-10,13-15H,11-12H2,1H3
InChIKeyOIPVVLYOWNHGHE-UHFFFAOYSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone (CID 5048144) is 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is Cc1cccc(-n2cnc3cc(C(=O)N4CCc5ccccc54)ccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
The InChIKey is OIPVVLYOWNHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-5-4-7-19(13-16)26-15-24-20-14-18(9-10-22(20)26)23(27)25-12-11-17-6-2-3-8-21(17)25/h2-10,13-15H,11-12H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone?
2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 5048144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).