1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone

C23H27N3O — CID 4055879

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone
SMILESCCCCCc1nc2ccccc2n1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C23H27N3O/c1-3-4-5-14-22-24-19-11-7-9-13-21(19)25(22)16-23(27)26-17(2)15-18-10-6-8-12-20(18)26/h6-13,17H,3-5,14-16H2,1-2H3
InChIKeyACLOWWYOGXAZLD-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.75
Rot. Bonds6

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone (PubChem CID 4055879) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone
PubChem CID4055879
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone
SMILESCCCCCc1nc2ccccc2n1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C23H27N3O/c1-3-4-5-14-22-24-19-11-7-9-13-21(19)25(22)16-23(27)26-17(2)15-18-10-6-8-12-20(18)26/h6-13,17H,3-5,14-16H2,1-2H3
InChIKeyACLOWWYOGXAZLD-UHFFFAOYSA-N
XLogP4.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3569474
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2557186
2-[2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 51686464
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
CID 25424204
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]ethanone
CID 1440597
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone (CID 4055879) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone is CCCCCc1nc2ccccc2n1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone?
The InChIKey is ACLOWWYOGXAZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-3-4-5-14-22-24-19-11-7-9-13-21(19)25(22)16-23(27)26-17(2)15-18-10-6-8-12-20(18)26/h6-13,17H,3-5,14-16H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone has a molecular weight of 361.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 4055879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).