[2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C21H21N5O2 — CID 16668925

About [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 16668925) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

• Compound Name: [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
• PubChem CID: 16668925
• Molecular Formula: C21H21N5O2
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.17
• IUPAC Name: [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
• SMILES: Cc1cc2nc(C3CCCN3C(=O)c3cc(-c4ccco4)[nH]n3)[nH]c2cc1C
• InChI: InChI=1S/C21H21N5O2/c1-12-9-14-15(10-13(12)2)23-20(22-14)18-5-3-7-26(18)21(27)17-11-16(24-25-17)19-6-4-8-28-19/h4,6,8-11,18H,3,5,7H2,1-2H3,(H,22,23)(H,24,25)
• InChIKey: JCSSEGUAGHXSKG-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 90.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?

The IUPAC name of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 16668925) is [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

What is the SMILES notation for [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?

The canonical SMILES for [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is Cc1cc2nc(C3CCCN3C(=O)c3cc(-c4ccco4)[nH]n3)[nH]c2cc1C.

What is the InChIKey of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?

The InChIKey is JCSSEGUAGHXSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12-9-14-15(10-13(12)2)23-20(22-14)18-5-3-7-26(18)21(27)17-11-16(24-25-17)19-6-4-8-28-19/h4,6,8-11,18H,3,5,7H2,1-2H3,(H,22,23)(H,24,25).

What are the key properties of [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?

[2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 16668925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).