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

C23H19ClN4O3 — CID 155527719

IUPAC1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CCC1
InChIInChI=1S/C23H19ClN4O3/c24-16-4-6-18-19(10-16)28-21(27-18)15-2-5-17(25-12-15)14-3-7-20(26-11-14)31-13-23(22(29)30)8-1-9-23/h2-7,10-12H,1,8-9,13H2,(H,27,28)(H,29,30)
InChIKeyXBJBLRKYBAQWRR-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.97
Rot. Bonds6

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

1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (PubChem CID 155527719) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
PubChem CID155527719
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CCC1
InChIInChI=1S/C23H19ClN4O3/c24-16-4-6-18-19(10-16)28-21(27-18)15-2-5-17(25-12-15)14-3-7-20(26-11-14)31-13-23(22(29)30)8-1-9-23/h2-7,10-12H,1,8-9,13H2,(H,27,28)(H,29,30)
InChIKeyXBJBLRKYBAQWRR-UHFFFAOYSA-N
XLogP4.97
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic 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 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (CID 155527719) is 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is O=C(O)C1(COc2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cn2)CCC1.
What is the InChIKey of 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The InChIKey is XBJBLRKYBAQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c24-16-4-6-18-19(10-16)28-21(27-18)15-2-5-17(25-12-15)14-3-7-20(26-11-14)31-13-23(22(29)30)8-1-9-23/h2-7,10-12H,1,8-9,13H2,(H,27,28)(H,29,30).
What are the key properties of 1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
1-[[5-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid has a molecular weight of 434.88 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]oxymethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 155527719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).