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

C23H20FN3O — CID 46328395

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1F
InChIInChI=1S/C23H20FN3O/c1-15-9-11-17(14-19(15)24)23(28)25-18-6-4-5-16(13-18)10-12-22-26-20-7-2-3-8-21(20)27-22/h2-9,11,13-14H,10,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyFDUYAOGBCBFSNJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.05
Rot. Bonds5

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

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide (PubChem CID 46328395) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
PubChem CID46328395
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1F
InChIInChI=1S/C23H20FN3O/c1-15-9-11-17(14-19(15)24)23(28)25-18-6-4-5-16(13-18)10-12-22-26-20-7-2-3-8-21(20)27-22/h2-9,11,13-14H,10,12H2,1H3,(H,25,28)(H,26,27)
InChIKeyFDUYAOGBCBFSNJ-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
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-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 46379463
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328366
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide (CID 46328395) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1F.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is FDUYAOGBCBFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-15-9-11-17(14-19(15)24)23(28)25-18-6-4-5-16(13-18)10-12-22-26-20-7-2-3-8-21(20)27-22/h2-9,11,13-14H,10,12H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide?
N-[3-[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-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 46328395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).