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

C24H21N3O — CID 4193459

IUPAC2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cc(C)cc(-n2cnc3cc(C(=O)N4CCc5ccccc54)ccc32)c1
InChIInChI=1S/C24H21N3O/c1-16-11-17(2)13-20(12-16)27-15-25-21-14-19(7-8-23(21)27)24(28)26-10-9-18-5-3-4-6-22(18)26/h3-8,11-15H,9-10H2,1-2H3
InChIKeyBFMUPXPMUDLXKA-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.85
Rot. Bonds2

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

2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone (PubChem CID 4193459) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone
PubChem CID4193459
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone
SMILESCc1cc(C)cc(-n2cnc3cc(C(=O)N4CCc5ccccc54)ccc32)c1
InChIInChI=1S/C24H21N3O/c1-16-11-17(2)13-20(12-16)27-15-25-21-14-19(7-8-23(21)27)24(28)26-10-9-18-5-3-4-6-22(18)26/h3-8,11-15H,9-10H2,1-2H3
InChIKeyBFMUPXPMUDLXKA-UHFFFAOYSA-N
XLogP4.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
4-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109091330
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide
CID 92695155
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone (CID 4193459) is 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone is Cc1cc(C)cc(-n2cnc3cc(C(=O)N4CCc5ccccc54)ccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone?
The InChIKey is BFMUPXPMUDLXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-16-11-17(2)13-20(12-16)27-15-25-21-14-19(7-8-23(21)27)24(28)26-10-9-18-5-3-4-6-22(18)26/h3-8,11-15H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone?
2,3-dihydroindol-1-yl-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 4.85, 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-(3,5-dimethylphenyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 4193459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).