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

C19H17N3O3 — CID 135401217

IUPAC3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1cccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)c1
InChIInChI=1S/C19H17N3O3/c1-25-13-6-4-5-12(11-13)20-19(24)17-16(23)9-10-22-15-8-3-2-7-14(15)21-18(17)22/h2-8,11,23H,9-10H2,1H3,(H,20,24)
InChIKeyYAZLHHYUHXAKCV-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.36
Rot. Bonds3

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

3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135401217) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135401217
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1cccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)c1
InChIInChI=1S/C19H17N3O3/c1-25-13-6-4-5-12(11-13)20-19(24)17-16(23)9-10-22-15-8-3-2-7-14(15)21-18(17)22/h2-8,11,23H,9-10H2,1H3,(H,20,24)
InChIKeyYAZLHHYUHXAKCV-UHFFFAOYSA-N
XLogP3.36
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135401217) is 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is COc1cccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)c1.
What is the InChIKey of 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is YAZLHHYUHXAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-13-6-4-5-12(11-13)20-19(24)17-16(23)9-10-22-15-8-3-2-7-14(15)21-18(17)22/h2-8,11,23H,9-10H2,1H3,(H,20,24).
What are the key properties of 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methoxyphenyl)-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135401217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).