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

C24H22ClN5O2 — CID 70355830

IUPAC2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C24H22ClN5O2/c25-18-3-5-20-21(12-18)29-24(28-20)17-1-4-19(26-14-17)16-2-6-22(27-13-16)30-9-7-15(8-10-30)11-23(31)32/h1-6,12-15H,7-11H2,(H,28,29)(H,31,32)
InChIKeyVXOYCLUBPHEOMS-UHFFFAOYSA-N
MW447.93 g/mol
LogP5.03
Rot. Bonds5

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

2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid (PubChem CID 70355830) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid
PubChem CID70355830
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C24H22ClN5O2/c25-18-3-5-20-21(12-18)29-24(28-20)17-1-4-19(26-14-17)16-2-6-22(27-13-16)30-9-7-15(8-10-30)11-23(31)32/h1-6,12-15H,7-11H2,(H,28,29)(H,31,32)
InChIKeyVXOYCLUBPHEOMS-UHFFFAOYSA-N
XLogP5.03
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]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-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid (CID 70355830) is 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(c2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1.
What is the InChIKey of 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid?
The InChIKey is VXOYCLUBPHEOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-18-3-5-20-21(12-18)29-24(28-20)17-1-4-19(26-14-17)16-2-6-22(27-13-16)30-9-7-15(8-10-30)11-23(31)32/h1-6,12-15H,7-11H2,(H,28,29)(H,31,32).
What are the key properties of 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid?
2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid has a molecular weight of 447.93 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 70355830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).