N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

C28H30FN3O — CID 18511843

IUPACN-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(C)c(C(=O)N(Cc2nc3ccccc3n2-c2ccc(F)cc2C)C(C)C)c(C)c1
InChIInChI=1S/C28H30FN3O/c1-17(2)31(28(33)27-20(5)13-18(3)14-21(27)6)16-26-30-23-9-7-8-10-25(23)32(26)24-12-11-22(29)15-19(24)4/h7-15,17H,16H2,1-6H3
InChIKeyYELORUMAUYMADO-UHFFFAOYSA-N
MW443.57 g/mol
LogP6.45
Rot. Bonds5

About N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (PubChem CID 18511843) has the molecular formula C28H30FN3O and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
PubChem CID18511843
Molecular FormulaC28H30FN3O
Molecular Weight443.57 g/mol
Exact Mass443.24
IUPAC NameN-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(C)c(C(=O)N(Cc2nc3ccccc3n2-c2ccc(F)cc2C)C(C)C)c(C)c1
InChIInChI=1S/C28H30FN3O/c1-17(2)31(28(33)27-20(5)13-18(3)14-21(27)6)16-26-30-23-9-7-8-10-25(23)32(26)24-12-11-22(29)15-19(24)4/h7-15,17H,16H2,1-6H3
InChIKeyYELORUMAUYMADO-UHFFFAOYSA-N
XLogP6.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511814
N-[[1-(4-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511837
N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 59046945
2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
CID 70012357
2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660513
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008981
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-propylbenzamide
CID 42720516
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (CID 18511843) is N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is Cc1cc(C)c(C(=O)N(Cc2nc3ccccc3n2-c2ccc(F)cc2C)C(C)C)c(C)c1.
What is the InChIKey of N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The InChIKey is YELORUMAUYMADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O/c1-17(2)31(28(33)27-20(5)13-18(3)14-21(27)6)16-26-30-23-9-7-8-10-25(23)32(26)24-12-11-22(29)15-19(24)4/h7-15,17H,16H2,1-6H3.
What are the key properties of N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 18511843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).