Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans-

C25H27F3N4O3 — CID 71078515

IUPAC4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid
SMILESC1CC(CCC1C(=O)O)OC2CCN(CC2)C3=NC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)
InChIKeyMCFBUIIRFZBRCU-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.60
Rot. Bonds5

About Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans-

Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans- (PubChem CID 71078515) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound NameCyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans-
PubChem CID71078515
Molecular FormulaC25H27F3N4O3
Molecular Weight488.50 g/mol
Exact Mass488.20
IUPAC Name4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid
SMILESC1CC(CCC1C(=O)O)OC2CCN(CC2)C3=NC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F
InChIInChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)
InChIKeyMCFBUIIRFZBRCU-UHFFFAOYSA-N
XLogP4.60
TPSA91.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity725

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans- with MolForge

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Related Compounds

4-{[5-(1-Cyclopropyl-1H-indol-5-yl)-4,6-difluoro-1H-benzimidazol-2-yl]oxy}cyclohexanecarboxylic acid
CID 53372240
3-[(4-fluorophenyl)methyl]-8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decan-2-one
CID 56602865
9-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-1-oxa-9-azaspiro[5.5]undecane-3-carboxylic acid
CID 56603115
2-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 56603116
2-[8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetic acid
CID 56603118
2-[(3S)-8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetic acid
CID 56603174
2-[(3R)-8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetic acid
CID 56603175
2-[9-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetic acid
CID 56603301
2-[8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-1-oxa-8-azaspiro[4.5]decan-2-yl]acetic acid
CID 56603353
2-[4-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]phenyl]cyclohexyl]acetic acid
CID 56959088
3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-3-azaspiro[5.5]undecane-9-carboxylic acid
CID 68046818
2-[9-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetic acid
CID 68046989

Frequently Asked Questions

What is the IUPAC name of Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans-?
The IUPAC name of Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans- (CID 71078515) is 4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans-?
The canonical SMILES for Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans- is C1CC(CCC1C(=O)O)OC2CCN(CC2)C3=NC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F.
What is the InChIKey of Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans-?
The InChIKey is MCFBUIIRFZBRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34).
What are the key properties of Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans-?
Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans- has a molecular weight of 488.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohexanecarboxylic acid, 4-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-4-piperidinyl]oxy]-, trans- is sourced from PubChem (CID 71078515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).