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

C20H21F3N4 — CID 17428540

IUPAC1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F3N4/c1-14(19-24-17-4-2-3-5-18(17)27(19)20(22)23)25-10-12-26(13-11-25)16-8-6-15(21)7-9-16/h2-9,14,20H,10-13H2,1H3
InChIKeyLOHBSUSSGIYULC-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.45
Rot. Bonds4

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

1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole (PubChem CID 17428540) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
PubChem CID17428540
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F3N4/c1-14(19-24-17-4-2-3-5-18(17)27(19)20(22)23)25-10-12-26(13-11-25)16-8-6-15(21)7-9-16/h2-9,14,20H,10-13H2,1H3
InChIKeyLOHBSUSSGIYULC-UHFFFAOYSA-N
XLogP4.45
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
CID 46555831
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
ethyl 4-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazine-1-carboxylate
CID 25330445
1-adamantyl-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]methanone
CID 55499484
4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55739430
1-(difluoromethyl)-2-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]benzimidazole
CID 43053520
1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
CID 42926494
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775778
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
CID 112810866

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole (CID 17428540) is 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole is CC(c1nc2ccccc2n1C(F)F)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole?
The InChIKey is LOHBSUSSGIYULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-14(19-24-17-4-2-3-5-18(17)27(19)20(22)23)25-10-12-26(13-11-25)16-8-6-15(21)7-9-16/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole?
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole has a molecular weight of 374.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole is sourced from PubChem (CID 17428540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).