2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol

C20H22F2N4O — CID 46555831

IUPAC2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22F2N4O/c1-14(19-23-15-6-2-3-7-16(15)26(19)20(21)22)24-10-12-25(13-11-24)17-8-4-5-9-18(17)27/h2-9,14,20,27H,10-13H2,1H3
InChIKeyJPONEJBAGDOQQF-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.02
Rot. Bonds4

About 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol

2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol (PubChem CID 46555831) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
PubChem CID46555831
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC Name2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22F2N4O/c1-14(19-23-15-6-2-3-7-16(15)26(19)20(21)22)24-10-12-25(13-11-24)17-8-4-5-9-18(17)27/h2-9,14,20,27H,10-13H2,1H3
InChIKeyJPONEJBAGDOQQF-UHFFFAOYSA-N
XLogP4.02
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
ethyl 4-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazine-1-carboxylate
CID 25330445
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
CID 112810866
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55739430
1-adamantyl-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]methanone
CID 55499484
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
CID 42926494
1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole
CID 43053520
1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775778
3-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-3-yl]propanoic acid
CID 122101015
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol (CID 46555831) is 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol is CC(c1nc2ccccc2n1C(F)F)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol?
The InChIKey is JPONEJBAGDOQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O/c1-14(19-23-15-6-2-3-7-16(15)26(19)20(21)22)24-10-12-25(13-11-24)17-8-4-5-9-18(17)27/h2-9,14,20,27H,10-13H2,1H3.
What are the key properties of 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol?
2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol has a molecular weight of 372.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 46555831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).