4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one

C23H20ClN3O2 — CID 123393938

IUPAC4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2nc(C3CCC3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O2/c24-17-6-4-15(5-7-17)14-29-19-10-11-27(22(28)13-19)18-8-9-20-21(12-18)26-23(25-20)16-2-1-3-16/h4-13,16H,1-3,14H2,(H,25,26)
InChIKeyFVDJZTYQLYWGCP-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.21
Rot. Bonds5

About 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one

4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one (PubChem CID 123393938) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one
PubChem CID123393938
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2nc(C3CCC3)[nH]c2c1
InChIInChI=1S/C23H20ClN3O2/c24-17-6-4-15(5-7-17)14-29-19-10-11-27(22(28)13-19)18-8-9-20-21(12-18)26-23(25-20)16-2-1-3-16/h4-13,16H,1-3,14H2,(H,25,26)
InChIKeyFVDJZTYQLYWGCP-UHFFFAOYSA-N
XLogP5.21
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one
CID 123140464
1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 123190083
4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one
CID 123504976
4-[(4-chlorophenyl)methoxy]-1-[2-[(1R,2S)-2-(2-hydroxypropan-2-yl)cyclopropyl]-3-methylbenzimidazol-5-yl]pyridin-2-one
CID 121386224
4-[(4-chlorophenyl)methoxy]-1-[4-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethoxy]phenyl]pyridin-2-one
CID 87451926
2-[2-(2-cyclopentyl-3H-benzimidazol-5-yl)ethynyl]-5-phenylmethoxybenzaldehyde
CID 91403707
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
CID 69082097
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 71080950
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
CID 69079262
1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 46911566

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one (CID 123393938) is 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one is O=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2nc(C3CCC3)[nH]c2c1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one?
The InChIKey is FVDJZTYQLYWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-17-6-4-15(5-7-17)14-29-19-10-11-27(22(28)13-19)18-8-9-20-21(12-18)26-23(25-20)16-2-1-3-16/h4-13,16H,1-3,14H2,(H,25,26).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one has a molecular weight of 405.89 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one is sourced from PubChem (CID 123393938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).