5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide

C24H26ClN7O2 — CID 118717690

About 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide

5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 118717690) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
• PubChem CID: 118717690
• Molecular Formula: C24H26ClN7O2
• Molecular Weight: 479.97 g/mol
• Exact Mass: 479.18
• IUPAC Name: 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
• SMILES: CCN(CC)CCn1c(NC(=O)c2ccc(Cn3nc(C#N)c(Cl)c3C)o2)nc2ccccc21
• InChI: InChI=1S/C24H26ClN7O2/c1-4-30(5-2)12-13-31-20-9-7-6-8-18(20)27-24(31)28-23(33)21-11-10-17(34-21)15-32-16(3)22(25)19(14-26)29-32/h6-11H,4-5,12-13,15H2,1-3H3,(H,27,28,33)
• InChIKey: VPFTUBUUGHYJNO-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 104.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.97
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide (CID 118717690) is 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide is CCN(CC)CCn1c(NC(=O)c2ccc(Cn3nc(C#N)c(Cl)c3C)o2)nc2ccccc21.

What is the InChIKey of 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?

The InChIKey is VPFTUBUUGHYJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2/c1-4-30(5-2)12-13-31-20-9-7-6-8-18(20)27-24(31)28-23(33)21-11-10-17(34-21)15-32-16(3)22(25)19(14-26)29-32/h6-11H,4-5,12-13,15H2,1-3H3,(H,27,28,33).

What are the key properties of 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?

5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 118717690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).