N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide

C30H28F2N4O2S — CID 67909492

IUPACN-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide
SMILESCCCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2ccncc2NS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C30H28F2N4O2S/c1-4-6-28-34-29-20(3)15-19(2)16-27(29)36(28)18-21-9-11-22(12-10-21)23-13-14-33-17-26(23)35-39(37,38)30-24(31)7-5-8-25(30)32/h5,7-17,35H,4,6,18H2,1-3H3
InChIKeyMYINPIFCMCENBN-UHFFFAOYSA-N
MW546.64 g/mol
LogP6.79
Rot. Bonds8

About N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide

N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide (PubChem CID 67909492) has the molecular formula C30H28F2N4O2S and a molecular weight of 546.64 g/mol. Its IUPAC name is N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide
PubChem CID67909492
Molecular FormulaC30H28F2N4O2S
Molecular Weight546.64 g/mol
Exact Mass546.19
IUPAC NameN-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide
SMILESCCCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2ccncc2NS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C30H28F2N4O2S/c1-4-6-28-34-29-20(3)15-19(2)16-27(29)36(28)18-21-9-11-22(12-10-21)23-13-14-33-17-26(23)35-39(37,38)30-24(31)7-5-8-25(30)32/h5,7-17,35H,4,6,18H2,1-3H3
InChIKeyMYINPIFCMCENBN-UHFFFAOYSA-N
XLogP6.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide with MolForge

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Related Compounds

2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
CID 122690681
6-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-1-(propane-2-sulfonyl)-1H-benzoimidazol-2-ylamine
CID 11202500
6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)-piperazin-1-yl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
CID 11584749
4''-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-[1-(propane-2-sulfonyl)-piperidin-4-ylidene]-methyl}-biphenyl-3-carbonitrile
CID 11592317
N,N-dimethyl-4-(6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazol-4-yl)benzenamine
CID 11713533
4-(4-tert-butylphenyl)-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11720914
4-[1-Methyl-5-(quinoline-8-sulfonylamino)-1H-benzoimidazol-2-ylmethyl]-benzamidine
CID 11730381
6-(5-phenyl-2-pyridin-4-yl-1H-imidazol-4-yl)-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981676
N-(5-(3-(3-Cyanophenyl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936961
N-(5-(3-(Pyridin-4-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52937061
N-(5-(3-Cyanoimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937064
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 59177003

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide (CID 67909492) is N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide is CCCc1nc2c(C)cc(C)cc2n1Cc1ccc(-c2ccncc2NS(=O)(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is MYINPIFCMCENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N4O2S/c1-4-6-28-34-29-20(3)15-19(2)16-27(29)36(28)18-21-9-11-22(12-10-21)23-13-14-33-17-26(23)35-39(37,38)30-24(31)7-5-8-25(30)32/h5,7-17,35H,4,6,18H2,1-3H3.
What are the key properties of N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide?
N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 546.64 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 67909492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).