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

C20H21N3O2 — CID 3569474

IUPAC2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(O)c1nc2ccccc2n1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H21N3O2/c1-13-11-15-7-3-5-9-17(15)23(13)19(25)12-22-18-10-6-4-8-16(18)21-20(22)14(2)24/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyHWRCDVRMRKSBRR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.07
Rot. Bonds3

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

2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3569474) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3569474
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(O)c1nc2ccccc2n1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C20H21N3O2/c1-13-11-15-7-3-5-9-17(15)23(13)19(25)12-22-18-10-6-4-8-16(18)21-20(22)14(2)24/h3-10,13-14,24H,11-12H2,1-2H3
InChIKeyHWRCDVRMRKSBRR-UHFFFAOYSA-N
XLogP3.07
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone
CID 4055879
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
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 51188925
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
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
methyl (2S)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]-2,3-dihydroindole-2-carboxylate
CID 95161925
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
CID 25424204
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 99700783
4-hydroxy-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinolin-2-one
CID 54724425
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 3569474) is 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC(O)c1nc2ccccc2n1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is HWRCDVRMRKSBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-11-15-7-3-5-9-17(15)23(13)19(25)12-22-18-10-6-4-8-16(18)21-20(22)14(2)24/h3-10,13-14,24H,11-12H2,1-2H3.
What are the key properties of 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 335.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3569474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).