3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide

C18H19N3O — CID 6621635

IUPAC3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-2-13-7-9-14(10-8-13)19-18(22)12-11-17-20-15-5-3-4-6-16(15)21-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyZHHKQVRZUBOJDT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.70
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide (PubChem CID 6621635) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide
PubChem CID6621635
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O/c1-2-13-7-9-14(10-8-13)19-18(22)12-11-17-20-15-5-3-4-6-16(15)21-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyZHHKQVRZUBOJDT-UHFFFAOYSA-N
XLogP3.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide (CID 6621635) is 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide?
The InChIKey is ZHHKQVRZUBOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-13-7-9-14(10-8-13)19-18(22)12-11-17-20-15-5-3-4-6-16(15)21-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 6621635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).