N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide

C23H20FN3O — CID 46290614

IUPACN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1F
InChIInChI=1S/C23H20FN3O/c1-15-6-10-17(14-19(15)24)23(28)25-18-11-7-16(8-12-18)9-13-22-26-20-4-2-3-5-21(20)27-22/h2-8,10-12,14H,9,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZCUXXMZHSHRZGE-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.05
Rot. Bonds5

About N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide (PubChem CID 46290614) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
PubChem CID46290614
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1F
InChIInChI=1S/C23H20FN3O/c1-15-6-10-17(14-19(15)24)23(28)25-18-11-7-16(8-12-18)9-13-22-26-20-4-2-3-5-21(20)27-22/h2-8,10-12,14H,9,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZCUXXMZHSHRZGE-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-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
CID 46382289
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 50789590
3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide (CID 46290614) is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1F.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is ZCUXXMZHSHRZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-15-6-10-17(14-19(15)24)23(28)25-18-11-7-16(8-12-18)9-13-22-26-20-4-2-3-5-21(20)27-22/h2-8,10-12,14H,9,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide 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 N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 46290614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).