3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride

C24H29ClFN3O2 — CID 12834387

IUPAC3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2n1C1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H28FN3O2.ClH/c25-18-7-5-17(6-8-18)24(30)13-9-19(10-14-24)27-15-11-20(12-16-27)28-22-4-2-1-3-21(22)26-23(28)29;/h1-8,19-20,30H,9-16H2,(H,26,29);1H
InChIKeyOQWINQYFJYJOAZ-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.36
Rot. Bonds3

About 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride

3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (PubChem CID 12834387) has the molecular formula C24H29ClFN3O2 and a molecular weight of 445.97 g/mol. Its IUPAC name is 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
PubChem CID12834387
Molecular FormulaC24H29ClFN3O2
Molecular Weight445.97 g/mol
Exact Mass445.19
IUPAC Name3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2n1C1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H28FN3O2.ClH/c25-18-7-5-17(6-8-18)24(30)13-9-19(10-14-24)27-15-11-20(12-16-27)28-22-4-2-1-3-21(22)26-23(28)29;/h1-8,19-20,30H,9-16H2,(H,26,29);1H
InChIKeyOQWINQYFJYJOAZ-UHFFFAOYSA-N
XLogP4.36
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride with MolForge

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Related Compounds

3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968300
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 11743757
3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46557771
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 3678291

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The IUPAC name of 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride (CID 12834387) is 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride.
What is the SMILES notation for 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The canonical SMILES for 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is Cl.O=c1[nH]c2ccccc2n1C1CCN(C2CCC(O)(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
The InChIKey is OQWINQYFJYJOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2.ClH/c25-18-7-5-17(6-8-18)24(30)13-9-19(10-14-24)27-15-11-20(12-16-27)28-22-4-2-1-3-21(22)26-23(28)29;/h1-8,19-20,30H,9-16H2,(H,26,29);1H.
What are the key properties of 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride?
3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride has a molecular weight of 445.97 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 12834387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).