[2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone

C23H17Cl2N3O4 — CID 3914832

IUPAC[2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(C(=O)N2CCOCC2)c2nc3ccccc3n2c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C23H17Cl2N3O4/c24-14-10-15(21(30)17(25)11-14)20(29)13-9-16(23(31)27-5-7-32-8-6-27)22-26-18-3-1-2-4-19(18)28(22)12-13/h1-4,9-12,30H,5-8H2
InChIKeyNOAJNPLCMLRECT-UHFFFAOYSA-N
MW470.31 g/mol
LogP4.20
Rot. Bonds3

About [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone

[2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 3914832) has the molecular formula C23H17Cl2N3O4 and a molecular weight of 470.31 g/mol. Its IUPAC name is [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone
PubChem CID3914832
Molecular FormulaC23H17Cl2N3O4
Molecular Weight470.31 g/mol
Exact Mass469.06
IUPAC Name[2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(C(=O)N2CCOCC2)c2nc3ccccc3n2c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C23H17Cl2N3O4/c24-14-10-15(21(30)17(25)11-14)20(29)13-9-16(23(31)27-5-7-32-8-6-27)22-26-18-3-1-2-4-19(18)28(22)12-13/h1-4,9-12,30H,5-8H2
InChIKeyNOAJNPLCMLRECT-UHFFFAOYSA-N
XLogP4.20
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone (CID 3914832) is [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(C(=O)N2CCOCC2)c2nc3ccccc3n2c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is NOAJNPLCMLRECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O4/c24-14-10-15(21(30)17(25)11-14)20(29)13-9-16(23(31)27-5-7-32-8-6-27)22-26-18-3-1-2-4-19(18)28(22)12-13/h1-4,9-12,30H,5-8H2.
What are the key properties of [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone?
[2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 470.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloro-2-hydroxybenzoyl)pyrido[1,2-a]benzimidazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3914832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).