1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole

C21H24F2N4O3S — CID 42926494

IUPAC1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4ccccc4n3C(F)F)CC2)cc1
InChIInChI=1S/C21H24F2N4O3S/c1-15(20-24-18-5-3-4-6-19(18)27(20)21(22)23)25-11-13-26(14-12-25)31(28,29)17-9-7-16(30-2)8-10-17/h3-10,15,21H,11-14H2,1-2H3
InChIKeySLHFCAZKJCZFHK-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.51
Rot. Bonds6

About 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole

1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole (PubChem CID 42926494) has the molecular formula C21H24F2N4O3S and a molecular weight of 450.51 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
PubChem CID42926494
Molecular FormulaC21H24F2N4O3S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC Name1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4ccccc4n3C(F)F)CC2)cc1
InChIInChI=1S/C21H24F2N4O3S/c1-15(20-24-18-5-3-4-6-19(18)27(20)21(22)23)25-11-13-26(14-12-25)31(28,29)17-9-7-16(30-2)8-10-17/h3-10,15,21H,11-14H2,1-2H3
InChIKeySLHFCAZKJCZFHK-UHFFFAOYSA-N
XLogP3.51
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole
CID 43053520
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46823413
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135846055
5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993378
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-pyrrolidin-1-ylquinazoline
CID 59993146
2-[(1R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 92753550
1-adamantyl-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]methanone
CID 55499484
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
[1-[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]piperidin-4-yl]methanol
CID 59993435
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55739430
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole (CID 42926494) is 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole is COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4ccccc4n3C(F)F)CC2)cc1.
What is the InChIKey of 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole?
The InChIKey is SLHFCAZKJCZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O3S/c1-15(20-24-18-5-3-4-6-19(18)27(20)21(22)23)25-11-13-26(14-12-25)31(28,29)17-9-7-16(30-2)8-10-17/h3-10,15,21H,11-14H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole?
1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole has a molecular weight of 450.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole is sourced from PubChem (CID 42926494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).