N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

C18H14ClN3O2 — CID 135508619

IUPACN-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1=C(O)CCn2c1nc1ccccc12
InChIInChI=1S/C18H14ClN3O2/c19-11-5-1-2-6-12(11)21-18(24)16-15(23)9-10-22-14-8-4-3-7-13(14)20-17(16)22/h1-8,23H,9-10H2,(H,21,24)
InChIKeyXAHBMFJDKDUARI-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.00
Rot. Bonds2

About N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135508619) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135508619
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1=C(O)CCn2c1nc1ccccc12
InChIInChI=1S/C18H14ClN3O2/c19-11-5-1-2-6-12(11)21-18(24)16-15(23)9-10-22-14-8-4-3-7-13(14)20-17(16)22/h1-8,23H,9-10H2,(H,21,24)
InChIKeyXAHBMFJDKDUARI-UHFFFAOYSA-N
XLogP4.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135508619) is N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is O=C(Nc1ccccc1Cl)C1=C(O)CCn2c1nc1ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is XAHBMFJDKDUARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-11-5-1-2-6-12(11)21-18(24)16-15(23)9-10-22-14-8-4-3-7-13(14)20-17(16)22/h1-8,23H,9-10H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135508619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).