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

C23H20ClN3O3 — CID 123140464

IUPAC4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2nc(C3CC3CO)[nH]c2c1
InChIInChI=1S/C23H20ClN3O3/c24-16-3-1-14(2-4-16)13-30-18-7-8-27(22(29)11-18)17-5-6-20-21(10-17)26-23(25-20)19-9-15(19)12-28/h1-8,10-11,15,19,28H,9,12-13H2,(H,25,26)
InChIKeyCWAQTOUZZXZBHE-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.04
Rot. Bonds6

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

4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one (PubChem CID 123140464) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one
PubChem CID123140464
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2nc(C3CC3CO)[nH]c2c1
InChIInChI=1S/C23H20ClN3O3/c24-16-3-1-14(2-4-16)13-30-18-7-8-27(22(29)11-18)17-5-6-20-21(10-17)26-23(25-20)19-9-15(19)12-28/h1-8,10-11,15,19,28H,9,12-13H2,(H,25,26)
InChIKeyCWAQTOUZZXZBHE-UHFFFAOYSA-N
XLogP4.04
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)methoxy]-1-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridin-2-one
CID 123393938
4-[(4-chlorophenyl)methoxy]-1-[2-[(1R,2S)-2-(2-hydroxypropan-2-yl)cyclopropyl]-3-methylbenzimidazol-5-yl]pyridin-2-one
CID 121386224
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-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
CID 69082097
1-[4-amino-3-(N-cyclopropyl-C-methylcarbonimidoyl)phenyl]-4-[(4-chlorophenyl)methoxy]pyridin-2-one
CID 123490591
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
4-[(4-chlorophenyl)methoxy]-1-[4-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethoxy]phenyl]pyridin-2-one
CID 87451926
1-[2-(2-hydroxyethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 69080163
1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 46911566
1-[2-(2-aminoethyl)quinolin-6-yl]-4-phenylmethoxypyridin-2-one
CID 71080950
ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
CID 69084633

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one (CID 123140464) is 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one is O=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc2nc(C3CC3CO)[nH]c2c1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one?
The InChIKey is CWAQTOUZZXZBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c24-16-3-1-14(2-4-16)13-30-18-7-8-27(22(29)11-18)17-5-6-20-21(10-17)26-23(25-20)19-9-15(19)12-28/h1-8,10-11,15,19,28H,9,12-13H2,(H,25,26).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one has a molecular weight of 421.88 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-[2-[2-(hydroxymethyl)cyclopropyl]-3H-benzimidazol-5-yl]pyridin-2-one is sourced from PubChem (CID 123140464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).