2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide

C16H14FN3O — CID 110728531

IUPAC2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FN3O/c1-20-10-18-14-9-13(6-7-15(14)20)19-16(21)8-11-2-4-12(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyHYEBDNBEAWLXMD-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide

2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide (PubChem CID 110728531) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
PubChem CID110728531
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FN3O/c1-20-10-18-14-9-13(6-7-15(14)20)19-16(21)8-11-2-4-12(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyHYEBDNBEAWLXMD-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
methyl 3-[[2-(1-methylbenzimidazol-5-yl)acetyl]amino]benzoate
CID 110772985
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
CID 110723812
3-(3,4-dimethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 110744582
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728536
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide (CID 110728531) is 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide is Cn1cnc2cc(NC(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide?
The InChIKey is HYEBDNBEAWLXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20-10-18-14-9-13(6-7-15(14)20)19-16(21)8-11-2-4-12(17)5-3-11/h2-7,9-10H,8H2,1H3,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide?
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide has a molecular weight of 283.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110728531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).