N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide

C23H21N5O — CID 68747636

IUPACN-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide
SMILESCc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(N(C)c2ccccn2)cc1
InChIInChI=1S/C23H21N5O/c1-16-6-7-18(22-25-13-14-26-22)15-20(16)27-23(29)17-8-10-19(11-9-17)28(2)21-5-3-4-12-24-21/h3-15H,1-2H3,(H,25,26)(H,27,29)
InChIKeyUDJGLJKCMHXGTR-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.80
Rot. Bonds5

About N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide

N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide (PubChem CID 68747636) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide
PubChem CID68747636
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide
SMILESCc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(N(C)c2ccccn2)cc1
InChIInChI=1S/C23H21N5O/c1-16-6-7-18(22-25-13-14-26-22)15-20(16)27-23(29)17-8-10-19(11-9-17)28(2)21-5-3-4-12-24-21/h3-15H,1-2H3,(H,25,26)(H,27,29)
InChIKeyUDJGLJKCMHXGTR-UHFFFAOYSA-N
XLogP4.80
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide?
The IUPAC name of N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide (CID 68747636) is N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide.
What is the SMILES notation for N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide?
The canonical SMILES for N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide is Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(N(C)c2ccccn2)cc1.
What is the InChIKey of N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide?
The InChIKey is UDJGLJKCMHXGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-6-7-18(22-25-13-14-26-22)15-20(16)27-23(29)17-8-10-19(11-9-17)28(2)21-5-3-4-12-24-21/h3-15H,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide?
N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide has a molecular weight of 383.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide is sourced from PubChem (CID 68747636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).