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

C20H19N3O4 — CID 18192820

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

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

2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (PubChem CID 18192820) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
PubChem CID18192820
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1
InChIInChI=1S/C20H19N3O4/c1-23-11-10-21-19(23)18(24)13-4-6-14(7-5-13)22-20(25)16-12-15(26-2)8-9-17(16)27-3/h4-12H,1-3H3,(H,22,25)
InChIKeyRNHXAPHHEBLEQT-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

2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192795
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
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
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
3-(3,4-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 43027725
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide (CID 18192820) is 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is COc1ccc(OC)c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
The InChIKey is RNHXAPHHEBLEQT-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)16-12-15(26-2)8-9-17(16)27-3/h4-12H,1-3H3,(H,22,25).
What are the key properties of 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide?
2,5-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 2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 18192820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).