N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide

C21H24N4O — CID 71974552

IUPACN-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(NCc2cnc(C)n2-c2ccccc2)cc1C
InChIInChI=1S/C21H24N4O/c1-14-10-18(11-15(2)21(14)24-17(4)26)23-13-20-12-22-16(3)25(20)19-8-6-5-7-9-19/h5-12,23H,13H2,1-4H3,(H,24,26)
InChIKeyNXWUCTZLDALBOF-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.37
Rot. Bonds5

About N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide

N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide (PubChem CID 71974552) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide
PubChem CID71974552
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(NCc2cnc(C)n2-c2ccccc2)cc1C
InChIInChI=1S/C21H24N4O/c1-14-10-18(11-15(2)21(14)24-17(4)26)23-13-20-12-22-16(3)25(20)19-8-6-5-7-9-19/h5-12,23H,13H2,1-4H3,(H,24,26)
InChIKeyNXWUCTZLDALBOF-UHFFFAOYSA-N
XLogP4.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178871
4-iodo-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178654
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79179309
2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178875
3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 79178658
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyridin-3-amine
CID 79179103
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine
CID 104954415
(3R)-3-[(2-methyl-3-phenylimidazol-4-yl)methylamino]-N-propan-2-ylbutanamide
CID 97002412
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
CID 107302931
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide (CID 71974552) is N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide is CC(=O)Nc1c(C)cc(NCc2cnc(C)n2-c2ccccc2)cc1C.
What is the InChIKey of N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide?
The InChIKey is NXWUCTZLDALBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-10-18(11-15(2)21(14)24-17(4)26)23-13-20-12-22-16(3)25(20)19-8-6-5-7-9-19/h5-12,23H,13H2,1-4H3,(H,24,26).
What are the key properties of N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide?
N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-[(2-methyl-3-phenylimidazol-4-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71974552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).