3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol

C24H25ClN2O4S — CID 71057037

About 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol

3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol (PubChem CID 71057037) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol.

Molecular Properties

• Compound Name: 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol
• PubChem CID: 71057037
• Molecular Formula: C24H25ClN2O4S
• Molecular Weight: 472.99 g/mol
• Exact Mass: 472.12
• IUPAC Name: 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol
• SMILES: C[C@@H](Oc1csc(-n2cnc3ccc(OC(CCO)CCO)cc32)c1)c1ccccc1Cl
• InChI: InChI=1S/C24H25ClN2O4S/c1-16(20-4-2-3-5-21(20)25)30-19-13-24(32-14-19)27-15-26-22-7-6-18(12-23(22)27)31-17(8-10-28)9-11-29/h2-7,12-17,28-29H,8-11H2,1H3/t16-/m1/s1
• InChIKey: MXZMSFPBGMSMDP-MRXNPFEDSA-N
• XLogP: 5.39
• TPSA: 76.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.99
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol?

The IUPAC name of 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol (CID 71057037) is 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol.

What is the SMILES notation for 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol?

The canonical SMILES for 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol is C[C@@H](Oc1csc(-n2cnc3ccc(OC(CCO)CCO)cc32)c1)c1ccccc1Cl.

What is the InChIKey of 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol?

The InChIKey is MXZMSFPBGMSMDP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-16(20-4-2-3-5-21(20)25)30-19-13-24(32-14-19)27-15-26-22-7-6-18(12-23(22)27)31-17(8-10-28)9-11-29/h2-7,12-17,28-29H,8-11H2,1H3/t16-/m1/s1.

What are the key properties of 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol?

3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol has a molecular weight of 472.99 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol is sourced from PubChem (CID 71057037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).