4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

C25H24FN3O — CID 17008866

IUPAC4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)c1ccc(Cn2c(CNC(=O)c3ccc(F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H24FN3O/c1-17(2)19-9-7-18(8-10-19)16-29-23-6-4-3-5-22(23)28-24(29)15-27-25(30)20-11-13-21(26)14-12-20/h3-14,17H,15-16H2,1-2H3,(H,27,30)
InChIKeyQLYCPBDDQJTMPG-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.28
Rot. Bonds6

About 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008866) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008866
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)c1ccc(Cn2c(CNC(=O)c3ccc(F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C25H24FN3O/c1-17(2)19-9-7-18(8-10-19)16-29-23-6-4-3-5-22(23)28-24(29)15-27-25(30)20-11-13-21(26)14-12-20/h3-14,17H,15-16H2,1-2H3,(H,27,30)
InChIKeyQLYCPBDDQJTMPG-UHFFFAOYSA-N
XLogP5.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991738
4-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008922
2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006384
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 4085689
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17008866) is 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is CC(C)c1ccc(Cn2c(CNC(=O)c3ccc(F)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is QLYCPBDDQJTMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-17(2)19-9-7-18(8-10-19)16-29-23-6-4-3-5-22(23)28-24(29)15-27-25(30)20-11-13-21(26)14-12-20/h3-14,17H,15-16H2,1-2H3,(H,27,30).
What are the key properties of 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).