2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole

C24H27BrN6 — CID 135820166

IUPAC2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
SMILESBrc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C6CCCCC6)CC5)cc4[nH]3)c2c1
InChIInChI=1S/C24H27BrN6/c25-16-6-8-20-19(14-16)23(29-28-20)24-26-21-9-7-18(15-22(21)27-24)31-12-10-30(11-13-31)17-4-2-1-3-5-17/h6-9,14-15,17H,1-5,10-13H2,(H,26,27)(H,28,29)
InChIKeyRLMPAOXQFTUITO-UHFFFAOYSA-N
MW479.43 g/mol
LogP5.32
Rot. Bonds3

About 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole

2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 135820166) has the molecular formula C24H27BrN6 and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
PubChem CID135820166
Molecular FormulaC24H27BrN6
Molecular Weight479.43 g/mol
Exact Mass478.15
IUPAC Name2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
SMILESBrc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C6CCCCC6)CC5)cc4[nH]3)c2c1
InChIInChI=1S/C24H27BrN6/c25-16-6-8-20-19(14-16)23(29-28-20)24-26-21-9-7-18(15-22(21)27-24)31-12-10-30(11-13-31)17-4-2-1-3-5-17/h6-9,14-15,17H,1-5,10-13H2,(H,26,27)(H,28,29)
InChIKeyRLMPAOXQFTUITO-UHFFFAOYSA-N
XLogP5.32
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.43
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133151
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 135820292
1-(2,4-dimethoxyphenyl)-3-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]urea
CID 135820095
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 135820313
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161
3-[1-[2-(5-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 135820273

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole (CID 135820166) is 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole is Brc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C6CCCCC6)CC5)cc4[nH]3)c2c1.
What is the InChIKey of 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is RLMPAOXQFTUITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN6/c25-16-6-8-20-19(14-16)23(29-28-20)24-26-21-9-7-18(15-22(21)27-24)31-12-10-30(11-13-31)17-4-2-1-3-5-17/h6-9,14-15,17H,1-5,10-13H2,(H,26,27)(H,28,29).
What are the key properties of 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole?
2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 479.43 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135820166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).