N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide

C18H17F2N3OS — CID 41478889

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H17F2N3OS/c19-18(20)25-13-9-7-12(8-10-13)17(24)21-11-3-6-16-22-14-4-1-2-5-15(14)23-16/h1-2,4-5,7-10,18H,3,6,11H2,(H,21,24)(H,22,23)
InChIKeyIJKUPDGPTHVEMT-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.24
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide (PubChem CID 41478889) has the molecular formula C18H17F2N3OS and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
PubChem CID41478889
Molecular FormulaC18H17F2N3OS
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H17F2N3OS/c19-18(20)25-13-9-7-12(8-10-13)17(24)21-11-3-6-16-22-14-4-1-2-5-15(14)23-16/h1-2,4-5,7-10,18H,3,6,11H2,(H,21,24)(H,22,23)
InChIKeyIJKUPDGPTHVEMT-UHFFFAOYSA-N
XLogP4.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 17438166
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide (CID 41478889) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide is O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is IJKUPDGPTHVEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3OS/c19-18(20)25-13-9-7-12(8-10-13)17(24)21-11-3-6-16-22-14-4-1-2-5-15(14)23-16/h1-2,4-5,7-10,18H,3,6,11H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 361.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 41478889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).