2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole

C20H21F3N4 — CID 133445454

IUPAC2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
SMILESCCc1nc2ccccc2n1C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H21F3N4/c1-2-18-24-15-6-3-4-7-16(15)27(18)14-10-12-26(13-11-14)19-9-5-8-17(25-19)20(21,22)23/h3-9,14H,2,10-13H2,1H3
InChIKeyFCINKIUKBZTZPZ-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.85
Rot. Bonds3

About 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole

2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole (PubChem CID 133445454) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
PubChem CID133445454
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
SMILESCCc1nc2ccccc2n1C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H21F3N4/c1-2-18-24-15-6-3-4-7-16(15)27(18)14-10-12-26(13-11-14)19-9-5-8-17(25-19)20(21,22)23/h3-9,14H,2,10-13H2,1H3
InChIKeyFCINKIUKBZTZPZ-UHFFFAOYSA-N
XLogP4.85
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
CID 127733592
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-2-ethylbenzimidazole
CID 133445355
6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133445310
6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133445295
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133445496
4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide
CID 133445357
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133445384
N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 133321234

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole?
The IUPAC name of 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole (CID 133445454) is 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole is CCc1nc2ccccc2n1C1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole?
The InChIKey is FCINKIUKBZTZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-2-18-24-15-6-3-4-7-16(15)27(18)14-10-12-26(13-11-14)19-9-5-8-17(25-19)20(21,22)23/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole?
2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole has a molecular weight of 374.41 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole is sourced from PubChem (CID 133445454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).