2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide

C23H26FN5O4S — CID 34263110

IUPAC2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide
SMILESCn1c(CCC(=O)NNC(=O)c2ccccc2F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26FN5O4S/c1-28-20-10-9-16(34(32,33)29-13-5-2-6-14-29)15-19(20)25-21(28)11-12-22(30)26-27-23(31)17-7-3-4-8-18(17)24/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,26,30)(H,27,31)
InChIKeyBVYXNECDEXCUKC-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.28
Rot. Bonds6

About 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide

2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide (PubChem CID 34263110) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide
PubChem CID34263110
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide
SMILESCn1c(CCC(=O)NNC(=O)c2ccccc2F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H26FN5O4S/c1-28-20-10-9-16(34(32,33)29-13-5-2-6-14-29)15-19(20)25-21(28)11-12-22(30)26-27-23(31)17-7-3-4-8-18(17)24/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,26,30)(H,27,31)
InChIKeyBVYXNECDEXCUKC-UHFFFAOYSA-N
XLogP2.28
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]furan-3-carbohydrazide
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3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(4-methylsulfanylphenyl)propanamide
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CID 70708631
N-(5-chloro-2-methylphenyl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26894174
N-[2-(2-methoxyphenyl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 27756872
N'-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]pyridine-2-carbohydrazide
CID 26533642
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide (CID 34263110) is 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide is Cn1c(CCC(=O)NNC(=O)c2ccccc2F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide?
The InChIKey is BVYXNECDEXCUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-28-20-10-9-16(34(32,33)29-13-5-2-6-14-29)15-19(20)25-21(28)11-12-22(30)26-27-23(31)17-7-3-4-8-18(17)24/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide?
2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide has a molecular weight of 487.56 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 34263110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).