N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide

C23H26F2N4O4S — CID 55345807

IUPACN-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H26F2N4O4S/c1-2-10-29-20-7-6-16(34(31,32)28-11-13-33-14-12-28)15-19(20)26-21(29)8-9-22(30)27-23-17(24)4-3-5-18(23)25/h3-7,15H,2,8-14H2,1H3,(H,27,30)
InChIKeyKXXRGTNBNHKRSM-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.32
Rot. Bonds8

About N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide

N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (PubChem CID 55345807) has the molecular formula C23H26F2N4O4S and a molecular weight of 492.55 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
PubChem CID55345807
Molecular FormulaC23H26F2N4O4S
Molecular Weight492.55 g/mol
Exact Mass492.16
IUPAC NameN-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C23H26F2N4O4S/c1-2-10-29-20-7-6-16(34(31,32)28-11-13-33-14-12-28)15-19(20)26-21(29)8-9-22(30)27-23-17(24)4-3-5-18(23)25/h3-7,15H,2,8-14H2,1H3,(H,27,30)
InChIKeyKXXRGTNBNHKRSM-UHFFFAOYSA-N
XLogP3.32
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 42547246
N-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 30256501
N-(2,5-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26360656
N-(2,4-difluorophenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26359932
N-(2-ethyl-6-methylphenyl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26086621
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42982551
N-(2-ethylphenyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 37337471
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
N-(4-methyl-1,3-thiazol-2-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 16580086
N-naphthalen-2-yl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24638965
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
CID 24680180
N-methyl-3-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide (CID 55345807) is N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)Nc2c(F)cccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
The InChIKey is KXXRGTNBNHKRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4S/c1-2-10-29-20-7-6-16(34(31,32)28-11-13-33-14-12-28)15-19(20)26-21(29)8-9-22(30)27-23-17(24)4-3-5-18(23)25/h3-7,15H,2,8-14H2,1H3,(H,27,30).
What are the key properties of N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide?
N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide has a molecular weight of 492.55 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 55345807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).