4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

C22H20N4O3 — CID 124754292

About 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 124754292) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
• PubChem CID: 124754292
• Molecular Formula: C22H20N4O3
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.15
• IUPAC Name: 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
• SMILES: NC(=O)c1ccc(-c2nc3c([nH]2)CN(C(=O)[C@@H]2Cc4ccccc4O2)CC3)cc1
• InChI: InChI=1S/C22H20N4O3/c23-20(27)13-5-7-14(8-6-13)21-24-16-9-10-26(12-17(16)25-21)22(28)19-11-15-3-1-2-4-18(15)29-19/h1-8,19H,9-12H2,(H2,23,27)(H,24,25)/t19-/m0/s1
• InChIKey: NRLHZCAZSMCAME-IBGZPJMESA-N
• XLogP: 2.06
• TPSA: 101.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?

The IUPAC name of 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (CID 124754292) is 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

What is the SMILES notation for 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is NC(=O)c1ccc(-c2nc3c([nH]2)CN(C(=O)[C@@H]2Cc4ccccc4O2)CC3)cc1.

What is the InChIKey of 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?

The InChIKey is NRLHZCAZSMCAME-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N4O3/c23-20(27)13-5-7-14(8-6-13)21-24-16-9-10-26(12-17(16)25-21)22(28)19-11-15-3-1-2-4-18(15)29-19/h1-8,19H,9-12H2,(H2,23,27)(H,24,25)/t19-/m0/s1.

What are the key properties of 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?

4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 124754292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).