5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide

C20H20ClN5O2 — CID 19579294

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide (PubChem CID 19579294) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide
• PubChem CID: 19579294
• Molecular Formula: C20H20ClN5O2
• Molecular Weight: 397.87 g/mol
• Exact Mass: 397.13
• IUPAC Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide
• SMILES: CCn1c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)nc2ccccc21
• InChI: InChI=1S/C20H20ClN5O2/c1-4-25-16-8-6-5-7-15(16)22-20(25)23-19(27)17-10-9-14(28-17)11-26-13(3)18(21)12(2)24-26/h5-10H,4,11H2,1-3H3,(H,22,23,27)
• InChIKey: ZVNGKEZIKKZSMR-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 77.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.87
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide (CID 19579294) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide is CCn1c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)nc2ccccc21.

What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?

The InChIKey is ZVNGKEZIKKZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-4-25-16-8-6-5-7-15(16)22-20(25)23-19(27)17-10-9-14(28-17)11-26-13(3)18(21)12(2)24-26/h5-10H,4,11H2,1-3H3,(H,22,23,27).

What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 19579294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).