2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

C20H19N3O4 — CID 18192795

IUPAC2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-23-11-10-21-19(23)18(24)13-4-6-14(7-5-13)22-20(25)16-9-8-15(26-2)12-17(16)27-3/h4-12H,1-3H3,(H,22,25)
InChIKeyISXSXFDXLNFTIL-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.92
Rot. Bonds6

About 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide

2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (PubChem CID 18192795) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
PubChem CID18192795
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(OC)c1
InChIInChI=1S/C20H19N3O4/c1-23-11-10-21-19(23)18(24)13-4-6-14(7-5-13)22-20(25)16-9-8-15(26-2)12-17(16)27-3/h4-12H,1-3H3,(H,22,25)
InChIKeyISXSXFDXLNFTIL-UHFFFAOYSA-N
XLogP2.92
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide
CID 51187645
1-(2,5-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43059696
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
4-methoxy-2-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467377
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 31933737
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (CID 18192795) is 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The InChIKey is ISXSXFDXLNFTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-23-11-10-21-19(23)18(24)13-4-6-14(7-5-13)22-20(25)16-9-8-15(26-2)12-17(16)27-3/h4-12H,1-3H3,(H,22,25).
What are the key properties of 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 18192795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).