[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate

C17H15N5O4 — CID 175589041

IUPAC[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2c(c1)CCN2C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H15N5O4/c18-15(23)26-11-2-4-14-9(7-11)5-6-22(14)17(25)19-10-1-3-12-13(8-10)21-16(24)20-12/h1-4,7-8H,5-6H2,(H2,18,23)(H,19,25)(H2,20,21,24)
InChIKeyUNWHYISJROGSJJ-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.91
Rot. Bonds2

About [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate

[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate (PubChem CID 175589041) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate.

Molecular Properties

Compound Name[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate
PubChem CID175589041
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Name[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate
SMILESNC(=O)Oc1ccc2c(c1)CCN2C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H15N5O4/c18-15(23)26-11-2-4-14-9(7-11)5-6-22(14)17(25)19-10-1-3-12-13(8-10)21-16(24)20-12/h1-4,7-8H,5-6H2,(H2,18,23)(H,19,25)(H2,20,21,24)
InChIKeyUNWHYISJROGSJJ-UHFFFAOYSA-N
XLogP1.91
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
5-[2-(5-amino-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydrobenzimidazol-2-one
CID 159388986
phenyl N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 10236287
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9432229
5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 139000890
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide
CID 90939443
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230

Frequently Asked Questions

What is the IUPAC name of [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate?
The IUPAC name of [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate (CID 175589041) is [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate.
What is the SMILES notation for [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate?
The canonical SMILES for [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate is NC(=O)Oc1ccc2c(c1)CCN2C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate?
The InChIKey is UNWHYISJROGSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c18-15(23)26-11-2-4-14-9(7-11)5-6-22(14)17(25)19-10-1-3-12-13(8-10)21-16(24)20-12/h1-4,7-8H,5-6H2,(H2,18,23)(H,19,25)(H2,20,21,24).
What are the key properties of [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate?
[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate has a molecular weight of 353.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]-2,3-dihydroindol-5-yl] carbamate is sourced from PubChem (CID 175589041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).