2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

C25H30N4O3 — CID 71110518

IUPAC2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C25H30N4O3/c30-24(31)15-17-5-8-19(9-6-17)32-20-11-13-29(14-12-20)23-10-7-18(16-26-23)25-27-21-3-1-2-4-22(21)28-25/h1-4,7,10,16-17,19-20H,5-6,8-9,11-15H2,(H,27,28)(H,30,31)
InChIKeyDJCUYZBMZWZJII-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (PubChem CID 71110518) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
PubChem CID71110518
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C25H30N4O3/c30-24(31)15-17-5-8-19(9-6-17)32-20-11-13-29(14-12-20)23-10-7-18(16-26-23)25-27-21-3-1-2-4-22(21)28-25/h1-4,7,10,16-17,19-20H,5-6,8-9,11-15H2,(H,27,28)(H,30,31)
InChIKeyDJCUYZBMZWZJII-UHFFFAOYSA-N
XLogP4.64
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The IUPAC name of 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (CID 71110518) is 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccccc5[nH]4)cn3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The InChIKey is DJCUYZBMZWZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-24(31)15-17-5-8-19(9-6-17)32-20-11-13-29(14-12-20)23-10-7-18(16-26-23)25-27-21-3-1-2-4-22(21)28-25/h1-4,7,10,16-17,19-20H,5-6,8-9,11-15H2,(H,27,28)(H,30,31).
What are the key properties of 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid has a molecular weight of 434.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 71110518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).