N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

C23H26F2N4O4S — CID 24660736

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C23H26F2N4O4S/c1-27(15-16-3-4-17(24)13-19(16)25)23(30)8-7-22-26-20-14-18(5-6-21(20)28(22)2)34(31,32)29-9-11-33-12-10-29/h3-6,13-14H,7-12,15H2,1-2H3
InChIKeyPPZIAQJLBDSTNT-UHFFFAOYSA-N
MW492.55 g/mol
LogP2.46
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 24660736) has the molecular formula C23H26F2N4O4S and a molecular weight of 492.55 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID24660736
Molecular FormulaC23H26F2N4O4S
Molecular Weight492.55 g/mol
Exact Mass492.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C23H26F2N4O4S/c1-27(15-16-3-4-17(24)13-19(16)25)23(30)8-7-22-26-20-14-18(5-6-21(20)28(22)2)34(31,32)29-9-11-33-12-10-29/h3-6,13-14H,7-12,15H2,1-2H3
InChIKeyPPZIAQJLBDSTNT-UHFFFAOYSA-N
XLogP2.46
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25467619
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25325137
N-methyl-N-[(4-methylphenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 38046514
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55621392
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42989633
N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-propan-2-ylpropanamide
CID 78843860
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24688078
N-(2,4-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26359932
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
N-[(3,4-difluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 55558387

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 24660736) is N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is CN(Cc1ccc(F)cc1F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is PPZIAQJLBDSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4S/c1-27(15-16-3-4-17(24)13-19(16)25)23(30)8-7-22-26-20-14-18(5-6-21(20)28(22)2)34(31,32)29-9-11-33-12-10-29/h3-6,13-14H,7-12,15H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 492.55 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 24660736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).