1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone

C20H22N4O2 — CID 4781683

IUPAC1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-14(25)12-21-20-22-16-7-3-5-9-18(16)24(20)13-19(26)23-11-10-15-6-2-4-8-17(15)23/h2-9,14,25H,10-13H2,1H3,(H,21,22)
InChIKeyYYUWCQAXXGEKBB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.42
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone (PubChem CID 4781683) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone
PubChem CID4781683
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-14(25)12-21-20-22-16-7-3-5-9-18(16)24(20)13-19(26)23-11-10-15-6-2-4-8-17(15)23/h2-9,14,25H,10-13H2,1H3,(H,21,22)
InChIKeyYYUWCQAXXGEKBB-UHFFFAOYSA-N
XLogP2.42
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184002
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969600
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973566

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone (CID 4781683) is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone is CC(O)CNc1nc2ccccc2n1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone?
The InChIKey is YYUWCQAXXGEKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(25)12-21-20-22-16-7-3-5-9-18(16)24(20)13-19(26)23-11-10-15-6-2-4-8-17(15)23/h2-9,14,25H,10-13H2,1H3,(H,21,22).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone has a molecular weight of 350.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 4781683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).