3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide

C22H18N4O2 — CID 118194949

IUPAC3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide
SMILESCc1cn(-c2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)cn1
InChIInChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27)
InChIKeyTXKSFDQJSFSHRB-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.62
Rot. Bonds5

About 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide

3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide (PubChem CID 118194949) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide
PubChem CID118194949
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide
SMILESCc1cn(-c2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)cn1
InChIInChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27)
InChIKeyTXKSFDQJSFSHRB-UHFFFAOYSA-N
XLogP4.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide?
The IUPAC name of 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide (CID 118194949) is 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide?
The canonical SMILES for 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide is Cc1cn(-c2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)cn1.
What is the InChIKey of 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide?
The InChIKey is TXKSFDQJSFSHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27).
What are the key properties of 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide?
3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 118194949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).