N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide

C18H19N3O2 — CID 35808218

IUPACN-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-2-23-16-10-6-3-7-13(16)11-12-17(22)21-18-19-14-8-4-5-9-15(14)20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyLBFORGXMHMQSJW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.53
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide

N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide (PubChem CID 35808218) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
PubChem CID35808218
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-2-23-16-10-6-3-7-13(16)11-12-17(22)21-18-19-14-8-4-5-9-15(14)20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyLBFORGXMHMQSJW-UHFFFAOYSA-N
XLogP3.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27649615
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
CID 24505737
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
CID 60700198
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51208011

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide (CID 35808218) is N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide?
The InChIKey is LBFORGXMHMQSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-23-16-10-6-3-7-13(16)11-12-17(22)21-18-19-14-8-4-5-9-15(14)20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide?
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 35808218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).