2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide

C21H21N3O3 — CID 97281996

About 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide

2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide (PubChem CID 97281996) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
• PubChem CID: 97281996
• Molecular Formula: C21H21N3O3
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.16
• IUPAC Name: 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
• SMILES: COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccccc1-c1ncc[nH]1)C2
• InChI: InChI=1S/C21H21N3O3/c1-26-16-7-6-15-10-14(13-27-19(15)11-16)12-24-21(25)18-5-3-2-4-17(18)20-22-8-9-23-20/h2-9,11,14H,10,12-13H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1
• InChIKey: WHARCKXJRPXTBC-CQSZACIVSA-N
• XLogP: 3.07
• TPSA: 76.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?

The IUPAC name of 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide (CID 97281996) is 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide.

What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?

The canonical SMILES for 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide is COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccccc1-c1ncc[nH]1)C2.

What is the InChIKey of 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?

The InChIKey is WHARCKXJRPXTBC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-16-7-6-15-10-14(13-27-19(15)11-16)12-24-21(25)18-5-3-2-4-17(18)20-22-8-9-23-20/h2-9,11,14H,10,12-13H2,1H3,(H,22,23)(H,24,25)/t14-/m1/s1.

What are the key properties of 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?

2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-imidazol-2-yl)-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide is sourced from PubChem (CID 97281996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).