1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

C21H26N4O — CID 128983493

IUPAC1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCCC1c1nc2c([nH]1)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C21H26N4O/c26-20(25-13-11-15-6-1-4-9-18(15)25)14-24-12-5-10-19(24)21-22-16-7-2-3-8-17(16)23-21/h1,4,6,9,19H,2-3,5,7-8,10-14H2,(H,22,23)
InChIKeyXMTALZXJYZAOSO-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.01
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 128983493) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID128983493
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCCC1c1nc2c([nH]1)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C21H26N4O/c26-20(25-13-11-15-6-1-4-9-18(15)25)14-24-12-5-10-19(24)21-22-16-7-2-3-8-17(16)23-21/h1,4,6,9,19H,2-3,5,7-8,10-14H2,(H,22,23)
InChIKeyXMTALZXJYZAOSO-UHFFFAOYSA-N
XLogP3.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95337427
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 78942384
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 95321191
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 52536635
N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983427
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163343391
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 162628448

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 128983493) is 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is O=C(CN1CCCC1c1nc2c([nH]1)CCCC2)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is XMTALZXJYZAOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-20(25-13-11-15-6-1-4-9-18(15)25)14-24-12-5-10-19(24)21-22-16-7-2-3-8-17(16)23-21/h1,4,6,9,19H,2-3,5,7-8,10-14H2,(H,22,23).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 350.47 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 128983493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).