3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide

C23H20FN3O — CID 46328987

IUPAC3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1F
InChIInChI=1S/C23H20FN3O/c1-15-7-9-17(13-19(15)24)23(28)25-18-10-11-20-21(14-18)27-22(26-20)12-8-16-5-3-2-4-6-16/h2-7,9-11,13-14H,8,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyVSKVPNZULZOKOK-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.05
Rot. Bonds5

About 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide

3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 46328987) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID46328987
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1F
InChIInChI=1S/C23H20FN3O/c1-15-7-9-17(13-19(15)24)23(28)25-18-10-11-20-21(14-18)27-22(26-20)12-8-16-5-3-2-4-6-16/h2-7,9-11,13-14H,8,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyVSKVPNZULZOKOK-UHFFFAOYSA-N
XLogP5.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 50789590
N-(3-methylsulfanylphenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789523
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (CID 46328987) is 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is Cc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is VSKVPNZULZOKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-15-7-9-17(13-19(15)24)23(28)25-18-10-11-20-21(14-18)27-22(26-20)12-8-16-5-3-2-4-6-16/h2-7,9-11,13-14H,8,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 46328987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).