1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one

C22H23N3O — CID 126619697

IUPAC1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nc3ccccc3n2CC2=CC=CCC2C)cn(C)c1=O
InChIInChI=1S/C22H23N3O/c1-15-8-4-5-9-17(15)14-25-20-11-7-6-10-19(20)23-21(25)18-12-16(2)22(26)24(3)13-18/h4-7,9-13,15H,8,14H2,1-3H3
InChIKeyARIFGCKPKKEFCE-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.23
Rot. Bonds3

About 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one

1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one (PubChem CID 126619697) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one
PubChem CID126619697
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nc3ccccc3n2CC2=CC=CCC2C)cn(C)c1=O
InChIInChI=1S/C22H23N3O/c1-15-8-4-5-9-17(15)14-25-20-11-7-6-10-19(20)23-21(25)18-12-16(2)22(26)24(3)13-18/h4-7,9-13,15H,8,14H2,1-3H3
InChIKeyARIFGCKPKKEFCE-UHFFFAOYSA-N
XLogP4.23
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one (CID 126619697) is 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one is Cc1cc(-c2nc3ccccc3n2CC2=CC=CCC2C)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one?
The InChIKey is ARIFGCKPKKEFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-8-4-5-9-17(15)14-25-20-11-7-6-10-19(20)23-21(25)18-12-16(2)22(26)24(3)13-18/h4-7,9-13,15H,8,14H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one?
1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one has a molecular weight of 345.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 126619697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).