5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one

C17H16N4O2 — CID 159388986

IUPAC5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
SMILESNc1ccc2c(c1)CCN2C(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16N4O2/c18-12-2-4-15-11(9-12)5-6-21(15)16(22)8-10-1-3-13-14(7-10)20-17(23)19-13/h1-4,7,9H,5-6,8,18H2,(H2,19,20,23)
InChIKeyLLWHLELKCLRUET-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.57
Rot. Bonds2

About 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 159388986) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID159388986
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
SMILESNc1ccc2c(c1)CCN2C(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16N4O2/c18-12-2-4-15-11(9-12)5-6-21(15)16(22)8-10-1-3-13-14(7-10)20-17(23)19-13/h1-4,7,9H,5-6,8,18H2,(H2,19,20,23)
InChIKeyLLWHLELKCLRUET-UHFFFAOYSA-N
XLogP1.57
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
1-(5-amino-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 90209639
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499
5-[2-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 138035514
5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 139000890
5-[(4-aminophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926027
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate
CID 175589041
1-(5-amino-2,3-dihydroindol-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205511
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one (CID 159388986) is 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one is Nc1ccc2c(c1)CCN2C(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LLWHLELKCLRUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-12-2-4-15-11(9-12)5-6-21(15)16(22)8-10-1-3-13-14(7-10)20-17(23)19-13/h1-4,7,9H,5-6,8,18H2,(H2,19,20,23).
What are the key properties of 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 308.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 159388986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).