3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

C20H19N3O2 — CID 51187656

IUPAC3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-13-10-14(2)12-16(11-13)20(25)22-17-6-4-15(5-7-17)18(24)19-21-8-9-23(19)3/h4-12H,1-3H3,(H,22,25)
InChIKeyVGUCGTQEDZICPI-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.52
Rot. Bonds4

About 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (PubChem CID 51187656) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
PubChem CID51187656
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-13-10-14(2)12-16(11-13)20(25)22-17-6-4-15(5-7-17)18(24)19-21-8-9-23(19)3/h4-12H,1-3H3,(H,22,25)
InChIKeyVGUCGTQEDZICPI-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
CID 24555609
2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192795
4-(1,3-dithian-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 22830690
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17417131
2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 31933737
3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 17429559

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (CID 51187656) is 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The InChIKey is VGUCGTQEDZICPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-10-14(2)12-16(11-13)20(25)22-17-6-4-15(5-7-17)18(24)19-21-8-9-23(19)3/h4-12H,1-3H3,(H,22,25).
What are the key properties of 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 51187656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).