N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide

C24H22FN3O — CID 46328403

IUPACN-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
SMILESCCn1c(CCc2cccc(NC(=O)c3ccccc3F)c2)nc2ccccc21
InChIInChI=1S/C24H22FN3O/c1-2-28-22-13-6-5-12-21(22)27-23(28)15-14-17-8-7-9-18(16-17)26-24(29)19-10-3-4-11-20(19)25/h3-13,16H,2,14-15H2,1H3,(H,26,29)
InChIKeyGTDDAGGGZCDXBC-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.23
Rot. Bonds6

About N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide

N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide (PubChem CID 46328403) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
PubChem CID46328403
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC NameN-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
SMILESCCn1c(CCc2cccc(NC(=O)c3ccccc3F)c2)nc2ccccc21
InChIInChI=1S/C24H22FN3O/c1-2-28-22-13-6-5-12-21(22)27-23(28)15-14-17-8-7-9-18(16-17)26-24(29)19-10-3-4-11-20(19)25/h3-13,16H,2,14-15H2,1H3,(H,26,29)
InChIKeyGTDDAGGGZCDXBC-UHFFFAOYSA-N
XLogP5.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide (CID 46328403) is N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide is CCn1c(CCc2cccc(NC(=O)c3ccccc3F)c2)nc2ccccc21.
What is the InChIKey of N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide?
The InChIKey is GTDDAGGGZCDXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-2-28-22-13-6-5-12-21(22)27-23(28)15-14-17-8-7-9-18(16-17)26-24(29)19-10-3-4-11-20(19)25/h3-13,16H,2,14-15H2,1H3,(H,26,29).
What are the key properties of N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide?
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide has a molecular weight of 387.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 46328403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).