2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

C25H29ClN4O3 — CID 71110267

IUPAC2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C25H29ClN4O3/c26-18-4-7-21-22(14-18)29-25(28-21)17-3-8-23(27-15-17)30-11-9-20(10-12-30)33-19-5-1-16(2-6-19)13-24(31)32/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,28,29)(H,31,32)
InChIKeyGRPOVCVXFWOXGL-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.30
Rot. Bonds6

About 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid

2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (PubChem CID 71110267) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
PubChem CID71110267
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1
InChIInChI=1S/C25H29ClN4O3/c26-18-4-7-21-22(14-18)29-25(28-21)17-3-8-23(27-15-17)30-11-9-20(10-12-30)33-19-5-1-16(2-6-19)13-24(31)32/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,28,29)(H,31,32)
InChIKeyGRPOVCVXFWOXGL-UHFFFAOYSA-N
XLogP5.30
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The IUPAC name of 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid (CID 71110267) is 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is O=C(O)CC1CCC(OC2CCN(c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
The InChIKey is GRPOVCVXFWOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c26-18-4-7-21-22(14-18)29-25(28-21)17-3-8-23(27-15-17)30-11-9-20(10-12-30)33-19-5-1-16(2-6-19)13-24(31)32/h3-4,7-8,14-16,19-20H,1-2,5-6,9-13H2,(H,28,29)(H,31,32).
What are the key properties of 2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid?
2-[4-[1-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid has a molecular weight of 468.99 g/mol, XLogP of 5.30, 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-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 71110267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).