8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

C18H14ClN3O2 — CID 135958373

IUPAC8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCn2c1nc1ccc(Cl)cc12
InChIInChI=1S/C18H14ClN3O2/c19-11-6-7-13-14(10-11)22-9-8-15(23)16(17(22)21-13)18(24)20-12-4-2-1-3-5-12/h1-7,10,23H,8-9H2,(H,20,24)
InChIKeyWOGXTRGGRNZBJE-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.00
Rot. Bonds2

About 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135958373) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135958373
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)CCn2c1nc1ccc(Cl)cc12
InChIInChI=1S/C18H14ClN3O2/c19-11-6-7-13-14(10-11)22-9-8-15(23)16(17(22)21-13)18(24)20-12-4-2-1-3-5-12/h1-7,10,23H,8-9H2,(H,20,24)
InChIKeyWOGXTRGGRNZBJE-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

Analyze 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135508619
3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135819094
11-hydroxy-N-phenyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
CID 135433669
3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135819086
6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135503730
3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70084408
6-chloro-N-phenylquinazoline-2-carboxamide
CID 14528220
6-chloro-N,1-diphenylbenzimidazol-2-amine
CID 46854683
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide
CID 7697148
4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
(2S)-2-(5-chloro-1,3-benzothiazol-2-yl)-2-cyano-N-phenylacetamide
CID 99578086
6-chloro-1-hydroxybenzimidazole-2-carboxylic acid
CID 123194154

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135958373) is 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is O=C(Nc1ccccc1)C1=C(O)CCn2c1nc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is WOGXTRGGRNZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-11-6-7-13-14(10-11)22-9-8-15(23)16(17(22)21-13)18(24)20-12-4-2-1-3-5-12/h1-7,10,23H,8-9H2,(H,20,24).
What are the key properties of 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
8-chloro-3-hydroxy-N-phenyl-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 8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).