1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone

C19H23N3O — CID 129490053

About 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone

1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone (PubChem CID 129490053) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone.

Molecular Properties

• Compound Name: 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
• PubChem CID: 129490053
• Molecular Formula: C19H23N3O
• Molecular Weight: 309.41 g/mol
• Exact Mass: 309.18
• IUPAC Name: 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
• SMILES: CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1Cc3ccccc3C1)CC2
• InChI: InChI=1S/C19H23N3O/c1-12(2)18-20-16-8-7-13(9-17(16)21-18)19(23)22-10-14-5-3-4-6-15(14)11-22/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)/t13-/m1/s1
• InChIKey: OMBXZURTZLRFTC-CYBMUJFWSA-N
• XLogP: 3.18
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.41
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?

The IUPAC name of 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone (CID 129490053) is 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone.

What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?

The canonical SMILES for 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone is CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1Cc3ccccc3C1)CC2.

What is the InChIKey of 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?

The InChIKey is OMBXZURTZLRFTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12(2)18-20-16-8-7-13(9-17(16)21-18)19(23)22-10-14-5-3-4-6-15(14)11-22/h3-6,12-13H,7-11H2,1-2H3,(H,20,21)/t13-/m1/s1.

What are the key properties of 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?

1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dihydroisoindol-2-yl-[(5R)-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 129490053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).