2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one

C26H34N6OS — CID 23014288

IUPAC2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one
SMILESNC(CCCCN1CCN(c2nc3ccccc3n2-c2ccccc2)CC1)C(=O)N1CCSC1
InChIInChI=1S/C26H34N6OS/c27-22(25(33)31-18-19-34-20-31)10-6-7-13-29-14-16-30(17-15-29)26-28-23-11-4-5-12-24(23)32(26)21-8-2-1-3-9-21/h1-5,8-9,11-12,22H,6-7,10,13-20,27H2
InChIKeyZTYGXAYJVTXOOO-UHFFFAOYSA-N
MW478.67 g/mol
LogP3.18
Rot. Bonds8

About 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one

2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one (PubChem CID 23014288) has the molecular formula C26H34N6OS and a molecular weight of 478.67 g/mol. Its IUPAC name is 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one
PubChem CID23014288
Molecular FormulaC26H34N6OS
Molecular Weight478.67 g/mol
Exact Mass478.25
IUPAC Name2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one
SMILESNC(CCCCN1CCN(c2nc3ccccc3n2-c2ccccc2)CC1)C(=O)N1CCSC1
InChIInChI=1S/C26H34N6OS/c27-22(25(33)31-18-19-34-20-31)10-6-7-13-29-14-16-30(17-15-29)26-28-23-11-4-5-12-24(23)32(26)21-8-2-1-3-9-21/h1-5,8-9,11-12,22H,6-7,10,13-20,27H2
InChIKeyZTYGXAYJVTXOOO-UHFFFAOYSA-N
XLogP3.18
TPSA70.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one?
The IUPAC name of 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one (CID 23014288) is 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one.
What is the SMILES notation for 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one?
The canonical SMILES for 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one is NC(CCCCN1CCN(c2nc3ccccc3n2-c2ccccc2)CC1)C(=O)N1CCSC1.
What is the InChIKey of 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one?
The InChIKey is ZTYGXAYJVTXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6OS/c27-22(25(33)31-18-19-34-20-31)10-6-7-13-29-14-16-30(17-15-29)26-28-23-11-4-5-12-24(23)32(26)21-8-2-1-3-9-21/h1-5,8-9,11-12,22H,6-7,10,13-20,27H2.
What are the key properties of 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one?
2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one has a molecular weight of 478.67 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one is sourced from PubChem (CID 23014288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).