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

C23H20ClN5O3 — CID 70355583

IUPAC1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C23H20ClN5O3/c24-16-3-5-18-19(11-16)28-21(27-18)15-1-4-17(25-13-15)14-2-6-20(26-12-14)29-9-7-23(32,8-10-29)22(30)31/h1-6,11-13,32H,7-10H2,(H,27,28)(H,30,31)
InChIKeyUAQXSPQNAMTGIL-UHFFFAOYSA-N
MW449.90 g/mol
LogP3.76
Rot. Bonds4

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

1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 70355583) has the molecular formula C23H20ClN5O3 and a molecular weight of 449.90 g/mol. Its IUPAC name is 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID70355583
Molecular FormulaC23H20ClN5O3
Molecular Weight449.90 g/mol
Exact Mass449.13
IUPAC Name1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C23H20ClN5O3/c24-16-3-5-18-19(11-16)28-21(27-18)15-1-4-17(25-13-15)14-2-6-20(26-12-14)29-9-7-23(32,8-10-29)22(30)31/h1-6,11-13,32H,7-10H2,(H,27,28)(H,30,31)
InChIKeyUAQXSPQNAMTGIL-UHFFFAOYSA-N
XLogP3.76
TPSA115.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid (CID 70355583) is 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(c2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CC1.
What is the InChIKey of 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is UAQXSPQNAMTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3/c24-16-3-5-18-19(11-16)28-21(27-18)15-1-4-17(25-13-15)14-2-6-20(26-12-14)29-9-7-23(32,8-10-29)22(30)31/h1-6,11-13,32H,7-10H2,(H,27,28)(H,30,31).
What are the key properties of 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 449.90 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 70355583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).