N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

C20H20N4O2 — CID 70240552

IUPACN-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1
InChIInChI=1S/C20H20N4O2/c1-23(2)14-8-6-13(7-9-14)21-20(26)18-16(25)11-10-15-19(18)22-17-5-3-4-12-24(15)17/h3-9,12,25H,10-11H2,1-2H3,(H,21,26)
InChIKeyTZJJBKWMRNRXRJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.25
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide

N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (PubChem CID 70240552) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
PubChem CID70240552
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1
InChIInChI=1S/C20H20N4O2/c1-23(2)14-8-6-13(7-9-14)21-20(26)18-16(25)11-10-15-19(18)22-17-5-3-4-12-24(15)17/h3-9,12,25H,10-11H2,1-2H3,(H,21,26)
InChIKeyTZJJBKWMRNRXRJ-UHFFFAOYSA-N
XLogP3.25
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70236571
7-hydroxy-N-(1,2,4-triazin-3-yl)-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70239756
3-chloro-7-hydroxy-N-phenyl-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70084408
N-(3-fluoro-4-pyridinyl)-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide
CID 70240540
7-hydroxy-N-[4-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide;hydrochloride
CID 70159674
N-[4-(dimethylamino)phenyl]-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068010
1-N-tert-butyl-3-N-[4-(dimethylamino)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071118
(2R)-N-[4-(dimethylamino)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2622659
N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134309
N-[4-(3-aminoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 82355745
N-[4-(dimethylamino)phenyl]-N-(2-ethylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 1495259
N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821873

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide (CID 70240552) is N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is CN(C)c1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
The InChIKey is TZJJBKWMRNRXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23(2)14-8-6-13(7-9-14)21-20(26)18-16(25)11-10-15-19(18)22-17-5-3-4-12-24(15)17/h3-9,12,25H,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide?
N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-7-hydroxy-8,9-dihydropyrido[1,2-a]benzimidazole-6-carboxamide is sourced from PubChem (CID 70240552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).