4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole

C25H29N5 — CID 44568331

IUPAC4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole
SMILESc1ccc2c(C3CCC(N4CCN(c5cccc6[nH]cnc56)CC4)CC3)c[nH]c2c1
InChIInChI=1S/C25H29N5/c1-2-5-22-20(4-1)21(16-26-22)18-8-10-19(11-9-18)29-12-14-30(15-13-29)24-7-3-6-23-25(24)28-17-27-23/h1-7,16-19,26H,8-15H2,(H,27,28)
InChIKeyMBJMKBASUQRTPR-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.89
Rot. Bonds3

About 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole

4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 44568331) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID44568331
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole
SMILESc1ccc2c(C3CCC(N4CCN(c5cccc6[nH]cnc56)CC4)CC3)c[nH]c2c1
InChIInChI=1S/C25H29N5/c1-2-5-22-20(4-1)21(16-26-22)18-8-10-19(11-9-18)29-12-14-30(15-13-29)24-7-3-6-23-25(24)28-17-27-23/h1-7,16-19,26H,8-15H2,(H,27,28)
InChIKeyMBJMKBASUQRTPR-UHFFFAOYSA-N
XLogP4.89
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole (CID 44568331) is 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole is c1ccc2c(C3CCC(N4CCN(c5cccc6[nH]cnc56)CC4)CC3)c[nH]c2c1.
What is the InChIKey of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is MBJMKBASUQRTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-2-5-22-20(4-1)21(16-26-22)18-8-10-19(11-9-18)29-12-14-30(15-13-29)24-7-3-6-23-25(24)28-17-27-23/h1-7,16-19,26H,8-15H2,(H,27,28).
What are the key properties of 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole?
4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 399.54 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1H-indol-3-yl)cyclohexyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 44568331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).