N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

C19H20FN3O — CID 17028562

IUPACN-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2nc(C)n(CC(=O)NCc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C19H20FN3O/c1-12-8-17-18(9-13(12)2)23(14(3)22-17)11-19(24)21-10-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyJOIBXYNYGBSVFA-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.42
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (PubChem CID 17028562) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
PubChem CID17028562
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2nc(C)n(CC(=O)NCc3ccc(F)cc3)c2cc1C
InChIInChI=1S/C19H20FN3O/c1-12-8-17-18(9-13(12)2)23(14(3)22-17)11-19(24)21-10-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyJOIBXYNYGBSVFA-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide (CID 17028562) is N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is Cc1cc2nc(C)n(CC(=O)NCc3ccc(F)cc3)c2cc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
The InChIKey is JOIBXYNYGBSVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-12-8-17-18(9-13(12)2)23(14(3)22-17)11-19(24)21-10-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).