N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

C25H31N3O — CID 42819298

IUPACN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2nccn2Cc2cc(C)ccc2C)CC(C)C)cc1
InChIInChI=1S/C25H31N3O/c1-18(2)15-28(25(29)22-10-7-19(3)8-11-22)17-24-26-12-13-27(24)16-23-14-20(4)6-9-21(23)5/h6-14,18H,15-17H2,1-5H3
InChIKeyLHVVALDAJOAEEZ-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.16
Rot. Bonds7

About N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 42819298) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID42819298
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2nccn2Cc2cc(C)ccc2C)CC(C)C)cc1
InChIInChI=1S/C25H31N3O/c1-18(2)15-28(25(29)22-10-7-19(3)8-11-22)17-24-26-12-13-27(24)16-23-14-20(4)6-9-21(23)5/h6-14,18H,15-17H2,1-5H3
InChIKeyLHVVALDAJOAEEZ-UHFFFAOYSA-N
XLogP5.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42819288
3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide
CID 42819409
3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819679
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 42819326
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42819324
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
N-cyclohexyl-N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819766
N-(2-methoxyethyl)-3-methyl-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]butanamide
CID 42819437
N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide
CID 42793535
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 42819298) is N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(Cc2nccn2Cc2cc(C)ccc2C)CC(C)C)cc1.
What is the InChIKey of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is LHVVALDAJOAEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-18(2)15-28(25(29)22-10-7-19(3)8-11-22)17-24-26-12-13-27(24)16-23-14-20(4)6-9-21(23)5/h6-14,18H,15-17H2,1-5H3.
What are the key properties of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 389.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42819298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).