3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

C25H26N4O3 — CID 39108258

IUPAC3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCn1c(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)nc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-3-14-29-21-10-6-5-9-20(21)27-25(29)28-24(30)19-11-12-22(23(15-19)31-4-2)32-17-18-8-7-13-26-16-18/h5-13,15-16H,3-4,14,17H2,1-2H3,(H,27,28,30)
InChIKeyVLLXVLRJSOVBEU-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.07
Rot. Bonds9

About 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39108258) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39108258
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCn1c(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)nc2ccccc21
InChIInChI=1S/C25H26N4O3/c1-3-14-29-21-10-6-5-9-20(21)27-25(29)28-24(30)19-11-12-22(23(15-19)31-4-2)32-17-18-8-7-13-26-16-18/h5-13,15-16H,3-4,14,17H2,1-2H3,(H,27,28,30)
InChIKeyVLLXVLRJSOVBEU-UHFFFAOYSA-N
XLogP5.07
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide (CID 39108258) is 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is CCCn1c(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)nc2ccccc21.
What is the InChIKey of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is VLLXVLRJSOVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-14-29-21-10-6-5-9-20(21)27-25(29)28-24(30)19-11-12-22(23(15-19)31-4-2)32-17-18-8-7-13-26-16-18/h5-13,15-16H,3-4,14,17H2,1-2H3,(H,27,28,30).
What are the key properties of 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 430.51 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-propylbenzimidazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39108258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).