N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide

C21H25N3O2 — CID 5048149

IUPACN-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(CC)cc1
InChIInChI=1S/C21H25N3O2/c1-3-16-6-9-18(10-7-16)24-15-23-19-14-17(8-11-20(19)24)21(25)22-12-5-13-26-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeyQELBDOVXCLWIKC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.74
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide

N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide (PubChem CID 5048149) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide
PubChem CID5048149
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(CC)cc1
InChIInChI=1S/C21H25N3O2/c1-3-16-6-9-18(10-7-16)24-15-23-19-14-17(8-11-20(19)24)21(25)22-12-5-13-26-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,25)
InChIKeyQELBDOVXCLWIKC-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide (CID 5048149) is N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide is CCOCCCNC(=O)c1ccc2c(c1)ncn2-c1ccc(CC)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide?
The InChIKey is QELBDOVXCLWIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-16-6-9-18(10-7-16)24-15-23-19-14-17(8-11-20(19)24)21(25)22-12-5-13-26-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide?
N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(4-ethylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 5048149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).