3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide

C25H22N4O2 — CID 99506096

IUPAC3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H22N4O2/c1-17-11-12-20(16-22(17)28-24(30)18-7-4-3-5-8-18)25(31)27-21-10-6-9-19(15-21)23-26-13-14-29(23)2/h3-16H,1-2H3,(H,27,31)(H,28,30)
InChIKeyOIIYBZHRYXJCHR-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.90
Rot. Bonds5

About 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide

3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide (PubChem CID 99506096) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
PubChem CID99506096
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H22N4O2/c1-17-11-12-20(16-22(17)28-24(30)18-7-4-3-5-8-18)25(31)27-21-10-6-9-19(15-21)23-26-13-14-29(23)2/h3-16H,1-2H3,(H,27,31)(H,28,30)
InChIKeyOIIYBZHRYXJCHR-UHFFFAOYSA-N
XLogP4.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nilotinib
CID 644241
Radotinib
CID 16063245
Nilotinib Hydrochloride Anhydrous
CID 16006490
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146293963
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
3-({4-[(2-Methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138018
N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
CID 156596361
Jnk-IN-10
CID 57340688
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
analog of CK 3197
CID 10023912

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide (CID 99506096) is 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
The InChIKey is OIIYBZHRYXJCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-11-12-20(16-22(17)28-24(30)18-7-4-3-5-8-18)25(31)27-21-10-6-9-19(15-21)23-26-13-14-29(23)2/h3-16H,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide?
3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide has a molecular weight of 410.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 99506096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).