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'}

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Related Compounds

N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide
CID 46984852
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
N-benzyl-2-(3-bromo-4-fluorophenyl)-N-prop-2-enylacetamide
CID 55873125
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 116838286
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384

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).