3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide

C26H26FN3O — CID 46290775

IUPAC3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCCCn1c(CCc2ccc(NC(=O)c3ccc(C)c(F)c3)cc2)nc2ccccc21
InChIInChI=1S/C26H26FN3O/c1-3-16-30-24-7-5-4-6-23(24)29-25(30)15-11-19-9-13-21(14-10-19)28-26(31)20-12-8-18(2)22(27)17-20/h4-10,12-14,17H,3,11,15-16H2,1-2H3,(H,28,31)
InChIKeyLGUYICBFOUFZOD-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.93
Rot. Bonds7

About 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide

3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide (PubChem CID 46290775) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
PubChem CID46290775
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCCCn1c(CCc2ccc(NC(=O)c3ccc(C)c(F)c3)cc2)nc2ccccc21
InChIInChI=1S/C26H26FN3O/c1-3-16-30-24-7-5-4-6-23(24)29-25(30)15-11-19-9-13-21(14-10-19)28-26(31)20-12-8-18(2)22(27)17-20/h4-10,12-14,17H,3,11,15-16H2,1-2H3,(H,28,31)
InChIKeyLGUYICBFOUFZOD-UHFFFAOYSA-N
XLogP5.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
1-(3-fluoro-4-methylphenyl)-3-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-one
CID 142019902
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328945
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide (CID 46290775) is 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide is CCCn1c(CCc2ccc(NC(=O)c3ccc(C)c(F)c3)cc2)nc2ccccc21.
What is the InChIKey of 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The InChIKey is LGUYICBFOUFZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c1-3-16-30-24-7-5-4-6-23(24)29-25(30)15-11-19-9-13-21(14-10-19)28-26(31)20-12-8-18(2)22(27)17-20/h4-10,12-14,17H,3,11,15-16H2,1-2H3,(H,28,31).
What are the key properties of 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide has a molecular weight of 415.51 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 46290775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).