CID 88913723

C19H16BN3O4 — CID 88913723

IUPAC—
SMILES[B]c1cc(Cn2c(=O)n(CCC(=O)O)c3ccccc32)c2c(c1)NC(=O)C2
InChIInChI=1S/C19H16BN3O4/c20-12-7-11(13-9-17(24)21-14(13)8-12)10-23-16-4-2-1-3-15(16)22(19(23)27)6-5-18(25)26/h1-4,7-8H,5-6,9-10H2,(H,21,24)(H,25,26)
InChIKeyLJLDAVHWGSZKPV-UHFFFAOYSA-N
MW361.17 g/mol
LogP0.61
Rot. Bonds5

About CID 88913723

CID 88913723 (PubChem CID 88913723) has the molecular formula C19H16BN3O4 and a molecular weight of 361.17 g/mol.

Molecular Properties

Compound NameCID 88913723
PubChem CID88913723
Molecular FormulaC19H16BN3O4
Molecular Weight361.17 g/mol
Exact Mass361.12
IUPAC Name—
SMILES[B]c1cc(Cn2c(=O)n(CCC(=O)O)c3ccccc32)c2c(c1)NC(=O)C2
InChIInChI=1S/C19H16BN3O4/c20-12-7-11(13-9-17(24)21-14(13)8-12)10-23-16-4-2-1-3-15(16)22(19(23)27)6-5-18(25)26/h1-4,7-8H,5-6,9-10H2,(H,21,24)(H,25,26)
InChIKeyLJLDAVHWGSZKPV-UHFFFAOYSA-N
XLogP0.61
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanoic acid
CID 14453587
4-[3-[(3-nitrophenyl)methyl]-2-oxobenzimidazol-1-yl]butanoic acid
CID 57315869
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CID 70275395
10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid
CID 167386252
N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
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3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-6-(2-phenylethylcarbamoyl)benzimidazol-1-yl]propanoic acid
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4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
CID 84766189
3-[6-(2-hydroxyethylcarbamoyl)-3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid
CID 59497385
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 88913723?
The IUPAC name of CID 88913723 (CID 88913723) is not available.
What is the SMILES notation for CID 88913723?
The canonical SMILES for CID 88913723 is [B]c1cc(Cn2c(=O)n(CCC(=O)O)c3ccccc32)c2c(c1)NC(=O)C2.
What is the InChIKey of CID 88913723?
The InChIKey is LJLDAVHWGSZKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BN3O4/c20-12-7-11(13-9-17(24)21-14(13)8-12)10-23-16-4-2-1-3-15(16)22(19(23)27)6-5-18(25)26/h1-4,7-8H,5-6,9-10H2,(H,21,24)(H,25,26).
What are the key properties of CID 88913723?
CID 88913723 has a molecular weight of 361.17 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88913723 is sourced from PubChem (CID 88913723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).