N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

C29H23Cl2N5O — CID 142236432

About N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 142236432) has the molecular formula C29H23Cl2N5O and a molecular weight of 528.44 g/mol. Its IUPAC name is N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 142236432
• Molecular Formula: C29H23Cl2N5O
• Molecular Weight: 528.44 g/mol
• Exact Mass: 527.13
• IUPAC Name: N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
• SMILES: CC1CC=Cc2[nH]nc(-c3nc4ccc(C(=O)NCc5ccc(-c6cc(Cl)cc(Cl)c6)cc5)cc4[nH]3)c21
• InChI: InChI=1S/C29H23Cl2N5O/c1-16-3-2-4-24-26(16)27(36-35-24)28-33-23-10-9-19(13-25(23)34-28)29(37)32-15-17-5-7-18(8-6-17)20-11-21(30)14-22(31)12-20/h2,4-14,16H,3,15H2,1H3,(H,32,37)(H,33,34)(H,35,36)
• InChIKey: LNMURCODDFXKGW-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.44
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 142236432) is N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is CC1CC=Cc2[nH]nc(-c3nc4ccc(C(=O)NCc5ccc(-c6cc(Cl)cc(Cl)c6)cc5)cc4[nH]3)c21.

What is the InChIKey of N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?

The InChIKey is LNMURCODDFXKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N5O/c1-16-3-2-4-24-26(16)27(36-35-24)28-33-23-10-9-19(13-25(23)34-28)29(37)32-15-17-5-7-18(8-6-17)20-11-21(30)14-22(31)12-20/h2,4-14,16H,3,15H2,1H3,(H,32,37)(H,33,34)(H,35,36).

What are the key properties of N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?

N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 528.44 g/mol, XLogP of 7.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 142236432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).