3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C18H21N5O — CID 95607686

About 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95607686) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 95607686
• Molecular Formula: C18H21N5O
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.17
• IUPAC Name: 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3nc[nH]c3c2)n1
• InChI: InChI=1S/C18H21N5O/c1-12-8-13(2)23(21-12)10-15-4-3-7-22(15)18(24)14-5-6-16-17(9-14)20-11-19-16/h5-6,8-9,11,15H,3-4,7,10H2,1-2H3,(H,19,20)/t15-/m1/s1
• InChIKey: PQHHDJUKIACBQF-OAHLLOKOSA-N
• XLogP: 2.68
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95607686) is 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3nc[nH]c3c2)n1.

What is the InChIKey of 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is PQHHDJUKIACBQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-8-13(2)23(21-12)10-15-4-3-7-22(15)18(24)14-5-6-16-17(9-14)20-11-19-16/h5-6,8-9,11,15H,3-4,7,10H2,1-2H3,(H,19,20)/t15-/m1/s1.

What are the key properties of 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?

3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95607686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).