2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide

C29H25N7O3 — CID 156702597

IUPAC2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide
SMILESCCOc1nc2cccc(C(=O)NCc3ccco3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H25N7O3/c1-2-38-29-31-25-11-5-10-24(28(37)30-17-21-7-6-16-39-21)26(25)36(29)18-19-12-14-20(15-13-19)22-8-3-4-9-23(22)27-32-34-35-33-27/h3-16H,2,17-18H2,1H3,(H,30,37)(H,32,33,34,35)
InChIKeyIAEXTEDBKACZBG-UHFFFAOYSA-N
MW519.57 g/mol
LogP4.85
Rot. Bonds9

About 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide

2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide (PubChem CID 156702597) has the molecular formula C29H25N7O3 and a molecular weight of 519.57 g/mol. Its IUPAC name is 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide
PubChem CID156702597
Molecular FormulaC29H25N7O3
Molecular Weight519.57 g/mol
Exact Mass519.20
IUPAC Name2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide
SMILESCCOc1nc2cccc(C(=O)NCc3ccco3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H25N7O3/c1-2-38-29-31-25-11-5-10-24(28(37)30-17-21-7-6-16-39-21)26(25)36(29)18-19-12-14-20(15-13-19)22-8-3-4-9-23(22)27-32-34-35-33-27/h3-16H,2,17-18H2,1H3,(H,30,37)(H,32,33,34,35)
InChIKeyIAEXTEDBKACZBG-UHFFFAOYSA-N
XLogP4.85
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.57
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide 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 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
The IUPAC name of 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide (CID 156702597) is 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide is CCOc1nc2cccc(C(=O)NCc3ccco3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
The InChIKey is IAEXTEDBKACZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O3/c1-2-38-29-31-25-11-5-10-24(28(37)30-17-21-7-6-16-39-21)26(25)36(29)18-19-12-14-20(15-13-19)22-8-3-4-9-23(22)27-32-34-35-33-27/h3-16H,2,17-18H2,1H3,(H,30,37)(H,32,33,34,35).
What are the key properties of 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide has a molecular weight of 519.57 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(furan-2-ylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 156702597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).