2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C18H11ClF2N4OS — CID 58279051

IUPAC2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(Cl)cc3C(F)F)nc12
InChIInChI=1S/C18H11ClF2N4OS/c19-9-4-5-10(12(8-9)15(20)21)16-23-13-3-1-2-11(14(13)24-16)17(26)25-18-22-6-7-27-18/h1-8,15H,(H,23,24)(H,22,25,26)
InChIKeyLSXAYZXUVRFRNE-UHFFFAOYSA-N
MW404.83 g/mol
LogP5.53
Rot. Bonds4

About 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58279051) has the molecular formula C18H11ClF2N4OS and a molecular weight of 404.83 g/mol. Its IUPAC name is 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58279051
Molecular FormulaC18H11ClF2N4OS
Molecular Weight404.83 g/mol
Exact Mass404.03
IUPAC Name2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(Cl)cc3C(F)F)nc12
InChIInChI=1S/C18H11ClF2N4OS/c19-9-4-5-10(12(8-9)15(20)21)16-23-13-3-1-2-11(14(13)24-16)17(26)25-18-22-6-7-27-18/h1-8,15H,(H,23,24)(H,22,25,26)
InChIKeyLSXAYZXUVRFRNE-UHFFFAOYSA-N
XLogP5.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.83
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278843
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 88946420
2-[4-(2,3-dihydroxypropoxy)-2-methylphenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 76739455
2-[2-(difluoromethyl)-4-pyrrolidin-1-ylphenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279318
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
2-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278970
2-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278728
2-[2-(difluoromethyl)-4-(2,3-dihydroxypropoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278956
2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278747
2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278882
2-[2-(difluoromethyl)-4-fluorophenyl]-N-[3-(3-hydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 143922361

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58279051) is 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2[nH]c(-c3ccc(Cl)cc3C(F)F)nc12.
What is the InChIKey of 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is LSXAYZXUVRFRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4OS/c19-9-4-5-10(12(8-9)15(20)21)16-23-13-3-1-2-11(14(13)24-16)17(26)25-18-22-6-7-27-18/h1-8,15H,(H,23,24)(H,22,25,26).
What are the key properties of 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 404.83 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).