N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide

C19H20N4O — CID 78887879

IUPACN-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(-n3ccnc3)cc2)ccc1C
InChIInChI=1S/C19H20N4O/c1-14-3-6-17(11-19(14)22-15(2)24)21-12-16-4-7-18(8-5-16)23-10-9-20-13-23/h3-11,13,21H,12H2,1-2H3,(H,22,24)
InChIKeyRRQYROFAGYGPTE-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.75
Rot. Bonds5

About N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide

N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide (PubChem CID 78887879) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
PubChem CID78887879
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(-n3ccnc3)cc2)ccc1C
InChIInChI=1S/C19H20N4O/c1-14-3-6-17(11-19(14)22-15(2)24)21-12-16-4-7-18(8-5-16)23-10-9-20-13-23/h3-11,13,21H,12H2,1-2H3,(H,22,24)
InChIKeyRRQYROFAGYGPTE-UHFFFAOYSA-N
XLogP3.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 75385310
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
CID 60931656
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
2-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-5-methylaniline
CID 82745549
[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
CID 110897397
N-[5-[[4-[benzyl(ethyl)amino]phenyl]methylamino]-2-methylphenyl]acetamide
CID 78895302

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide (CID 78887879) is N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide is CC(=O)Nc1cc(NCc2ccc(-n3ccnc3)cc2)ccc1C.
What is the InChIKey of N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide?
The InChIKey is RRQYROFAGYGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-3-6-17(11-19(14)22-15(2)24)21-12-16-4-7-18(8-5-16)23-10-9-20-13-23/h3-11,13,21H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide?
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide is sourced from PubChem (CID 78887879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).