4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one

C19H18N2O2 — CID 22258271

IUPAC4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one
SMILESCC1CCc2[nH]c3c(C(=O)c4ccccc4)ccc(=O)n3c2C1
InChIInChI=1S/C19H18N2O2/c1-12-7-9-15-16(11-12)21-17(22)10-8-14(19(21)20-15)18(23)13-5-3-2-4-6-13/h2-6,8,10,12,20H,7,9,11H2,1H3
InChIKeyPABYQXIQKUBSOX-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.98
Rot. Bonds2

About 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one

4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one (PubChem CID 22258271) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one
PubChem CID22258271
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one
SMILESCC1CCc2[nH]c3c(C(=O)c4ccccc4)ccc(=O)n3c2C1
InChIInChI=1S/C19H18N2O2/c1-12-7-9-15-16(11-12)21-17(22)10-8-14(19(21)20-15)18(23)13-5-3-2-4-6-13/h2-6,8,10,12,20H,7,9,11H2,1H3
InChIKeyPABYQXIQKUBSOX-UHFFFAOYSA-N
XLogP2.98
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one?
The IUPAC name of 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one (CID 22258271) is 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one?
The canonical SMILES for 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one is CC1CCc2[nH]c3c(C(=O)c4ccccc4)ccc(=O)n3c2C1.
What is the InChIKey of 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one?
The InChIKey is PABYQXIQKUBSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-7-9-15-16(11-12)21-17(22)10-8-14(19(21)20-15)18(23)13-5-3-2-4-6-13/h2-6,8,10,12,20H,7,9,11H2,1H3.
What are the key properties of 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one?
4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one has a molecular weight of 306.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-8-methyl-6,7,8,9-tetrahydro-5H-pyrido[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 22258271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).