1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole

C23H28F2N4O2 — CID 43053520

IUPAC1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole
SMILESCOc1ccc(OCCN2CCN(C(C)c3nc4ccccc4n3C(F)F)CC2)cc1
InChIInChI=1S/C23H28F2N4O2/c1-17(22-26-20-5-3-4-6-21(20)29(22)23(24)25)28-13-11-27(12-14-28)15-16-31-19-9-7-18(30-2)8-10-19/h3-10,17,23H,11-16H2,1-2H3
InChIKeyQFPRJTTWVMUFDC-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.20
Rot. Bonds8

About 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole

1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole (PubChem CID 43053520) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole
PubChem CID43053520
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC Name1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole
SMILESCOc1ccc(OCCN2CCN(C(C)c3nc4ccccc4n3C(F)F)CC2)cc1
InChIInChI=1S/C23H28F2N4O2/c1-17(22-26-20-5-3-4-6-21(20)29(22)23(24)25)28-13-11-27(12-14-28)15-16-31-19-9-7-18(30-2)8-10-19/h3-10,17,23H,11-16H2,1-2H3
InChIKeyQFPRJTTWVMUFDC-UHFFFAOYSA-N
XLogP4.20
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
CID 42926494
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
ethyl 4-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazine-1-carboxylate
CID 25330445
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
CID 46555831
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775778

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole (CID 43053520) is 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole is COc1ccc(OCCN2CCN(C(C)c3nc4ccccc4n3C(F)F)CC2)cc1.
What is the InChIKey of 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole?
The InChIKey is QFPRJTTWVMUFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-17(22-26-20-5-3-4-6-21(20)29(22)23(24)25)28-13-11-27(12-14-28)15-16-31-19-9-7-18(30-2)8-10-19/h3-10,17,23H,11-16H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole?
1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole has a molecular weight of 430.50 g/mol, XLogP of 4.20, 8 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-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole is sourced from PubChem (CID 43053520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).