4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide

C15H12FN3O — CID 747511

IUPAC4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C15H12FN3O/c1-19-13-5-3-2-4-12(13)17-15(19)18-14(20)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18,20)
InChIKeyOSMKHCGQQOBTKB-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.96
Rot. Bonds2

About 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide

4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide (PubChem CID 747511) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide
PubChem CID747511
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C15H12FN3O/c1-19-13-5-3-2-4-12(13)17-15(19)18-14(20)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18,20)
InChIKeyOSMKHCGQQOBTKB-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide (CID 747511) is 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide is Cn1c(NC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide?
The InChIKey is OSMKHCGQQOBTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-19-13-5-3-2-4-12(13)17-15(19)18-14(20)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18,20).
What are the key properties of 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide?
4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide has a molecular weight of 269.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 747511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).