1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

C22H25N3O3 — CID 4103825

IUPAC1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(-n2c(C)nc3cc(C(=O)NCC4CCCO4)ccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-3-27-18-9-7-17(8-10-18)25-15(2)24-20-13-16(6-11-21(20)25)22(26)23-14-19-5-4-12-28-19/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,23,26)
InChIKeyKWMFPSQBDHCIFW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.64
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide

1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 4103825) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID4103825
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(-n2c(C)nc3cc(C(=O)NCC4CCCO4)ccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-3-27-18-9-7-17(8-10-18)25-15(2)24-20-13-16(6-11-21(20)25)22(26)23-14-19-5-4-12-28-19/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,23,26)
InChIKeyKWMFPSQBDHCIFW-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-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 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide (CID 4103825) is 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is CCOc1ccc(-n2c(C)nc3cc(C(=O)NCC4CCCO4)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is KWMFPSQBDHCIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-27-18-9-7-17(8-10-18)25-15(2)24-20-13-16(6-11-21(20)25)22(26)23-14-19-5-4-12-28-19/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide?
1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4103825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).