(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C18H18N4O2 — CID 9432229

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-11(22-9-8-12-4-2-3-5-16(12)22)17(23)19-13-6-7-14-15(10-13)21-18(24)20-14/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H2,20,21,24)/t11-/m0/s1
InChIKeyBUHHTSAQOSJFPY-NSHDSACASA-N
MW322.37 g/mol
LogP2.25
Rot. Bonds3

About (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 9432229) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID9432229
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-11(22-9-8-12-4-2-3-5-16(12)22)17(23)19-13-6-7-14-15(10-13)21-18(24)20-14/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H2,20,21,24)/t11-/m0/s1
InChIKeyBUHHTSAQOSJFPY-NSHDSACASA-N
XLogP2.25
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
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(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
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(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
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CID 7998746
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 9432229) is (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is BUHHTSAQOSJFPY-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(22-9-8-12-4-2-3-5-16(12)22)17(23)19-13-6-7-14-15(10-13)21-18(24)20-14/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H2,20,21,24)/t11-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 9432229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).