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

C19H17N3O3 — CID 17427516

IUPAC4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-22-12-11-20-18(22)17(23)13-3-7-15(8-4-13)21-19(24)14-5-9-16(25-2)10-6-14/h3-12H,1-2H3,(H,21,24)
InChIKeyKVEKWRCOEOOIIV-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.91
Rot. Bonds5

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

4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (PubChem CID 17427516) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
PubChem CID17427516
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-22-12-11-20-18(22)17(23)13-3-7-15(8-4-13)21-19(24)14-5-9-16(25-2)10-6-14/h3-12H,1-2H3,(H,21,24)
InChIKeyKVEKWRCOEOOIIV-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192795
2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide
CID 51187645
4-(1,3-dithian-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 22830690
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17417131
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
1-(2,5-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43059696

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (CID 17427516) is 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The InChIKey is KVEKWRCOEOOIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22-12-11-20-18(22)17(23)13-3-7-15(8-4-13)21-19(24)14-5-9-16(25-2)10-6-14/h3-12H,1-2H3,(H,21,24).
What are the key properties of 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17427516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).