5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one

C25H20F2N4O2S — CID 72699392

IUPAC5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one
SMILESCc1nc(Cc2nc3ccc(-c4ccc(=O)[nH]c4)cc3n2Cc2ccccc2OC(F)F)cs1
InChIInChI=1S/C25H20F2N4O2S/c1-15-29-19(14-34-15)11-23-30-20-8-6-16(17-7-9-24(32)28-12-17)10-21(20)31(23)13-18-4-2-3-5-22(18)33-25(26)27/h2-10,12,14,25H,11,13H2,1H3,(H,28,32)
InChIKeyNUXQOXBMMUAAQL-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.40
Rot. Bonds7

About 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one (PubChem CID 72699392) has the molecular formula C25H20F2N4O2S and a molecular weight of 478.52 g/mol. Its IUPAC name is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one
PubChem CID72699392
Molecular FormulaC25H20F2N4O2S
Molecular Weight478.52 g/mol
Exact Mass478.13
IUPAC Name5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one
SMILESCc1nc(Cc2nc3ccc(-c4ccc(=O)[nH]c4)cc3n2Cc2ccccc2OC(F)F)cs1
InChIInChI=1S/C25H20F2N4O2S/c1-15-29-19(14-34-15)11-23-30-20-8-6-16(17-7-9-24(32)28-12-17)10-21(20)31(23)13-18-4-2-3-5-22(18)33-25(26)27/h2-10,12,14,25H,11,13H2,1H3,(H,28,32)
InChIKeyNUXQOXBMMUAAQL-UHFFFAOYSA-N
XLogP5.40
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-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

US10889571, Example 162
CID 146507923
US10889571, Example 151
CID 146508273
4-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 24789400
N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide
CID 57391310
N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 44433809
US9732075, Example 4.147
CID 118127039
US9732075, Example 4.141
CID 118128024
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 129052344
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 129052747
2-[2-(2-{1-[4-(4-Methoxy-phenyl)-thiazol-2-ylamino]-ethyl}-5-trifluoromethyl-benzoimidazol-1-yl)-ethoxy]-ethanol
CID 23724102
N-(3-hydroxypropyl)-2-[1-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]ethyl]-1-[(4-methylphenyl)methyl]-5-benzimidazolecarboxamide
CID 23724128
2-{2-[4-(4-Methoxy-phenyl)-thiazol-2-ylamino]-ethyl}-1-(4-methyl-benzyl)-1H-benzoimidazole-5-carboxylic acid (3-hydroxy-propyl)-amide
CID 23724144

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one (CID 72699392) is 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one is Cc1nc(Cc2nc3ccc(-c4ccc(=O)[nH]c4)cc3n2Cc2ccccc2OC(F)F)cs1.
What is the InChIKey of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
The InChIKey is NUXQOXBMMUAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2S/c1-15-29-19(14-34-15)11-23-30-20-8-6-16(17-7-9-24(32)28-12-17)10-21(20)31(23)13-18-4-2-3-5-22(18)33-25(26)27/h2-10,12,14,25H,11,13H2,1H3,(H,28,32).
What are the key properties of 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one?
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one has a molecular weight of 478.52 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 72699392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).