N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide

C20H20FN3O — CID 50982547

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C20H20FN3O/c1-3-10-24(13-15-4-7-17(21)8-5-15)20(25)12-16-6-9-18-19(11-16)23-14(2)22-18/h3-9,11H,1,10,12-13H2,2H3,(H,22,23)
InChIKeyXLLCCESODORJDE-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.77
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide

N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide (PubChem CID 50982547) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide
PubChem CID50982547
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C20H20FN3O/c1-3-10-24(13-15-4-7-17(21)8-5-15)20(25)12-16-6-9-18-19(11-16)23-14(2)22-18/h3-9,11H,1,10,12-13H2,2H3,(H,22,23)
InChIKeyXLLCCESODORJDE-UHFFFAOYSA-N
XLogP3.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide 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 N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide (CID 50982547) is N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide is C=CCN(Cc1ccc(F)cc1)C(=O)Cc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide?
The InChIKey is XLLCCESODORJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-3-10-24(13-15-4-7-17(21)8-5-15)20(25)12-16-6-9-18-19(11-16)23-14(2)22-18/h3-9,11H,1,10,12-13H2,2H3,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide has a molecular weight of 337.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 50982547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).