N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide

C21H23N3O — CID 118384333

IUPACN-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)n1C
InChIInChI=1S/C21H23N3O/c1-15(2)20(25)23-21-22-18(14-16-10-6-4-7-11-16)19(24(21)3)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,22,23,25)
InChIKeyWKYSKFAFFHKOHI-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.27
Rot. Bonds5

About N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide

N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide (PubChem CID 118384333) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide
PubChem CID118384333
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)n1C
InChIInChI=1S/C21H23N3O/c1-15(2)20(25)23-21-22-18(14-16-10-6-4-7-11-16)19(24(21)3)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,22,23,25)
InChIKeyWKYSKFAFFHKOHI-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-benzyl-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
CID 126744129
N-[4-benzyl-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744189
[(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol
CID 129026385
N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide
CID 51362783
N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide
CID 126765706
N-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2-methylpropanamide
CID 58676321
N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
CID 123843502
4-benzyl-1-methyl-5-phenyltriazole
CID 102338119
N-(3-benzyl-5-phenylpyrazin-2-yl)acetamide
CID 10851965
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide (CID 118384333) is N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)n1C.
What is the InChIKey of N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide?
The InChIKey is WKYSKFAFFHKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15(2)20(25)23-21-22-18(14-16-10-6-4-7-11-16)19(24(21)3)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H,22,23,25).
What are the key properties of N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide?
N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide has a molecular weight of 333.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-1-methyl-5-phenylimidazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 118384333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).