N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide

C21H23FN4O3S — CID 53064265

IUPACN-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
SMILESO=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccc(F)c1
InChIInChI=1S/C21H23FN4O3S/c22-16-5-4-6-17(13-16)24-21(27)9-12-25-15-23-19-14-18(7-8-20(19)25)30(28,29)26-10-2-1-3-11-26/h4-8,13-15H,1-3,9-12H2,(H,24,27)
InChIKeyJJJUREBMDHGWGB-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.38
Rot. Bonds6

About N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide

N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide (PubChem CID 53064265) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
PubChem CID53064265
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
SMILESO=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccc(F)c1
InChIInChI=1S/C21H23FN4O3S/c22-16-5-4-6-17(13-16)24-21(27)9-12-25-15-23-19-14-18(7-8-20(19)25)30(28,29)26-10-2-1-3-11-26/h4-8,13-15H,1-3,9-12H2,(H,24,27)
InChIKeyJJJUREBMDHGWGB-UHFFFAOYSA-N
XLogP3.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53064004
3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17480456
N-(1,3-benzodioxol-5-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064059
ethyl 3-[3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanoylamino]benzoate
CID 53064019
N-(2,3-dimethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064017
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 50777025
N-(1,3-benzothiazol-2-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064041
3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 60582181
N-(3-methoxypropyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064294
N-(3-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064383
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide (CID 53064265) is N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide is O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
The InChIKey is JJJUREBMDHGWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c22-16-5-4-6-17(13-16)24-21(27)9-12-25-15-23-19-14-18(7-8-20(19)25)30(28,29)26-10-2-1-3-11-26/h4-8,13-15H,1-3,9-12H2,(H,24,27).
What are the key properties of N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide?
N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide has a molecular weight of 430.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 53064265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).