5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide

C18H18F2N4O2S — CID 42928516

IUPAC5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)s1
InChIInChI=1S/C18H18F2N4O2S/c1-10(9-21-17(26)14-7-8-15(27-14)22-11(2)25)16-23-12-5-3-4-6-13(12)24(16)18(19)20/h3-8,10,18H,9H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNCYYUIMPCCVEJG-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.98
Rot. Bonds6

About 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide

5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide (PubChem CID 42928516) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
PubChem CID42928516
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC Name5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)s1
InChIInChI=1S/C18H18F2N4O2S/c1-10(9-21-17(26)14-7-8-15(27-14)22-11(2)25)16-23-12-5-3-4-6-13(12)24(16)18(19)20/h3-8,10,18H,9H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNCYYUIMPCCVEJG-UHFFFAOYSA-N
XLogP3.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 25388372
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42928503
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 42928507
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17481526
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
CID 42928501
5-acetamido-N-(3-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 65036927
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
4-[(5-acetamidothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064594
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide (CID 42928516) is 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)s1.
What is the InChIKey of 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The InChIKey is NCYYUIMPCCVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c1-10(9-21-17(26)14-7-8-15(27-14)22-11(2)25)16-23-12-5-3-4-6-13(12)24(16)18(19)20/h3-8,10,18H,9H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 42928516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).