3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

C19H17N3O2 — CID 135819094

IUPAC3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O2/c1-12-6-5-9-14-17(12)21-18-16(15(23)10-11-22(14)18)19(24)20-13-7-3-2-4-8-13/h2-9,23H,10-11H2,1H3,(H,20,24)
InChIKeyPNMAYYMPUBVBOT-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.66
Rot. Bonds2

About 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135819094) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135819094
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O2/c1-12-6-5-9-14-17(12)21-18-16(15(23)10-11-22(14)18)19(24)20-13-7-3-2-4-8-13/h2-9,23H,10-11H2,1H3,(H,20,24)
InChIKeyPNMAYYMPUBVBOT-UHFFFAOYSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-hydroxy-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135958373
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
6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135503730
N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135508619
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
CID 59301844
3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
CID 122380402
4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897101
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70084408
2-methyl-7-(2-methylanilino)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 134807417
2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide
CID 167671596

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135819094) is 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is Cc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1.
What is the InChIKey of 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is PNMAYYMPUBVBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-6-5-9-14-17(12)21-18-16(15(23)10-11-22(14)18)19(24)20-13-7-3-2-4-8-13/h2-9,23H,10-11H2,1H3,(H,20,24).
What are the key properties of 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135819094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).