N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide

C18H12ClN3O3 — CID 14344833

IUPACN-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1cc2[nH]c(=O)[nH]c2cc1Cl)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12ClN3O3/c19-12-7-14-15(22-18(25)21-14)8-13(12)20-17(24)11-5-9-3-1-2-4-10(9)6-16(11)23/h1-8,23H,(H,20,24)(H2,21,22,25)
InChIKeyQFULZHXMRGYCEC-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.62
Rot. Bonds2

About N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide

N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 14344833) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID14344833
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC NameN-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1cc2[nH]c(=O)[nH]c2cc1Cl)c1cc2ccccc2cc1O
InChIInChI=1S/C18H12ClN3O3/c19-12-7-14-15(22-18(25)21-14)8-13(12)20-17(24)11-5-9-3-1-2-4-10(9)6-16(11)23/h1-8,23H,(H,20,24)(H2,21,22,25)
InChIKeyQFULZHXMRGYCEC-UHFFFAOYSA-N
XLogP3.62
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide (CID 14344833) is N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide is O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Cl)c1cc2ccccc2cc1O.
What is the InChIKey of N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is QFULZHXMRGYCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-12-7-14-15(22-18(25)21-14)8-13(12)20-17(24)11-5-9-3-1-2-4-10(9)6-16(11)23/h1-8,23H,(H,20,24)(H2,21,22,25).
What are the key properties of N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide?
N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 3.62, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 14344833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).