N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline

C27H29N7 — CID 135928483

About N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline

N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline (PubChem CID 135928483) has the molecular formula C27H29N7 and a molecular weight of 451.58 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
• PubChem CID: 135928483
• Molecular Formula: C27H29N7
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.25
• IUPAC Name: N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
• SMILES: CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(N(C)C)cc6)ccc45)nc23)CC1
• InChI: InChI=1S/C27H29N7/c1-32(2)20-10-7-18(8-11-20)19-9-12-21-23(17-19)30-31-25(21)27-28-22-5-4-6-24(26(22)29-27)34-15-13-33(3)14-16-34/h4-12,17H,13-16H2,1-3H3,(H,28,29)(H,30,31)
• InChIKey: IHCHJFVOAVNRQY-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 67.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?

The IUPAC name of N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline (CID 135928483) is N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline.

What is the SMILES notation for N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?

The canonical SMILES for N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(N(C)C)cc6)ccc45)nc23)CC1.

What is the InChIKey of N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?

The InChIKey is IHCHJFVOAVNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7/c1-32(2)20-10-7-18(8-11-20)19-9-12-21-23(17-19)30-31-25(21)27-28-22-5-4-6-24(26(22)29-27)34-15-13-33(3)14-16-34/h4-12,17H,13-16H2,1-3H3,(H,28,29)(H,30,31).

What are the key properties of N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?

N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline has a molecular weight of 451.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline is sourced from PubChem (CID 135928483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).