N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

C19H16FN3O3 — CID 135958368

IUPACN-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1F
InChIInChI=1S/C19H16FN3O3/c1-26-15-8-4-7-13-17(15)22-18-16(14(24)9-10-23(13)18)19(25)21-12-6-3-2-5-11(12)20/h2-8,24H,9-10H2,1H3,(H,21,25)
InChIKeyKKDHGZMFZLFGLX-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.50
Rot. Bonds3

About N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135958368) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135958368
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1F
InChIInChI=1S/C19H16FN3O3/c1-26-15-8-4-7-13-17(15)22-18-16(14(24)9-10-23(13)18)19(25)21-12-6-3-2-5-11(12)20/h2-8,24H,9-10H2,1H3,(H,21,25)
InChIKeyKKDHGZMFZLFGLX-UHFFFAOYSA-N
XLogP3.50
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135958368) is N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is COc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is KKDHGZMFZLFGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-26-15-8-4-7-13-17(15)22-18-16(14(24)9-10-23(13)18)19(25)21-12-6-3-2-5-11(12)20/h2-8,24H,9-10H2,1H3,(H,21,25).
What are the key properties of N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135958368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).