6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole

C24H25N3O3 — CID 70648166

IUPAC6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(C(OCC)c3ccc(OCc4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C24H25N3O3/c1-3-28-20-11-12-21-22(14-20)27-24(26-21)23(29-4-2)18-7-9-19(10-8-18)30-16-17-6-5-13-25-15-17/h5-15,23H,3-4,16H2,1-2H3,(H,26,27)
InChIKeySFCPAERNLUTMFV-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.06
Rot. Bonds9

About 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole

6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole (PubChem CID 70648166) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole
PubChem CID70648166
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(C(OCC)c3ccc(OCc4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C24H25N3O3/c1-3-28-20-11-12-21-22(14-20)27-24(26-21)23(29-4-2)18-7-9-19(10-8-18)30-16-17-6-5-13-25-15-17/h5-15,23H,3-4,16H2,1-2H3,(H,26,27)
InChIKeySFCPAERNLUTMFV-UHFFFAOYSA-N
XLogP5.06
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole (CID 70648166) is 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole is CCOc1ccc2nc(C(OCC)c3ccc(OCc4cccnc4)cc3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole?
The InChIKey is SFCPAERNLUTMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-28-20-11-12-21-22(14-20)27-24(26-21)23(29-4-2)18-7-9-19(10-8-18)30-16-17-6-5-13-25-15-17/h5-15,23H,3-4,16H2,1-2H3,(H,26,27).
What are the key properties of 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole?
6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole has a molecular weight of 403.48 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole is sourced from PubChem (CID 70648166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).