3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide

C18H18N4O2 — CID 6889160

IUPAC3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1/C=N/NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-24-17-9-5-2-6-14(17)12-20-21-18(23)10-11-22-13-19-15-7-3-4-8-16(15)22/h2-9,12-13H,10-11H2,1H3,(H,21,23)/b20-12+
InChIKeyKNMRUWZHTMNBOI-UDWIEESQSA-N
MW322.37 g/mol
LogP2.59
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide

3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide (PubChem CID 6889160) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide
PubChem CID6889160
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1/C=N/NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C18H18N4O2/c1-24-17-9-5-2-6-14(17)12-20-21-18(23)10-11-22-13-19-15-7-3-4-8-16(15)22/h2-9,12-13H,10-11H2,1H3,(H,21,23)/b20-12+
InChIKeyKNMRUWZHTMNBOI-UDWIEESQSA-N
XLogP2.59
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide 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 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide (CID 6889160) is 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide is COc1ccccc1/C=N/NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is KNMRUWZHTMNBOI-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-17-9-5-2-6-14(17)12-20-21-18(23)10-11-22-13-19-15-7-3-4-8-16(15)22/h2-9,12-13H,10-11H2,1H3,(H,21,23)/b20-12+.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide?
3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 6889160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).