3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

C18H14ClN3O2 — CID 70084408

IUPAC3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCc2c1nc1cc(Cl)ccn21
InChIInChI=1S/C18H14ClN3O2/c19-11-8-9-22-13-6-7-14(23)16(17(13)21-15(22)10-11)18(24)20-12-4-2-1-3-5-12/h1-5,8-10,23H,6-7H2,(H,20,24)
InChIKeyFAUTWIDGWJSOCX-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.84
Rot. Bonds2

About 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (PubChem CID 70084408) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
PubChem CID70084408
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCc2c1nc1cc(Cl)ccn21
InChIInChI=1S/C18H14ClN3O2/c19-11-8-9-22-13-6-7-14(23)16(17(13)21-15(22)10-11)18(24)20-12-4-2-1-3-5-12/h1-5,8-10,23H,6-7H2,(H,20,24)
InChIKeyFAUTWIDGWJSOCX-UHFFFAOYSA-N
XLogP3.84
TPSA66.63 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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The IUPAC name of 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (CID 70084408) is 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.
What is the SMILES notation for 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The canonical SMILES for 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is O=C(Nc1ccccc1)C1=C(O)CCc2c1nc1cc(Cl)ccn21.
What is the InChIKey of 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The InChIKey is FAUTWIDGWJSOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-11-8-9-22-13-6-7-14(23)16(17(13)21-15(22)10-11)18(24)20-12-4-2-1-3-5-12/h1-5,8-10,23H,6-7H2,(H,20,24).
What are the key properties of 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is sourced from PubChem (CID 70084408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).