N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide

C20H23N3O3 — CID 4278465

IUPACN-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
InChIInChI=1S/C20H23N3O3/c1-3-26-12-6-11-21-20(24)15-9-10-17-16(13-15)22-14-23(17)18-7-4-5-8-19(18)25-2/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,21,24)
InChIKeyWBZYIHKKVZFASU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.19
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide

N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 4278465) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide
PubChem CID4278465
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
InChIInChI=1S/C20H23N3O3/c1-3-26-12-6-11-21-20(24)15-9-10-17-16(13-15)22-14-23(17)18-7-4-5-8-19(18)25-2/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,21,24)
InChIKeyWBZYIHKKVZFASU-UHFFFAOYSA-N
XLogP3.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide (CID 4278465) is N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide is CCOCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC.
What is the InChIKey of N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is WBZYIHKKVZFASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-12-6-11-21-20(24)15-9-10-17-16(13-15)22-14-23(17)18-7-4-5-8-19(18)25-2/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide?
N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(2-methoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4278465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).