2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide

C30H33N5O2 — CID 135151623

IUPAC2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide
SMILESCCC(=O)CCCN1CCN(C(=O)Nc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C30H33N5O2/c1-2-26(36)13-8-16-34-17-18-35(30(37)32-25-11-4-3-5-12-25)28(21-34)29-31-20-27(33-29)24-15-14-22-9-6-7-10-23(22)19-24/h3-7,9-12,14-15,19-20,28H,2,8,13,16-18,21H2,1H3,(H,31,33)(H,32,37)
InChIKeyXKKNYTNVEBSBHG-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.88
Rot. Bonds8

About 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide

2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 135151623) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide
PubChem CID135151623
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide
SMILESCCC(=O)CCCN1CCN(C(=O)Nc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C30H33N5O2/c1-2-26(36)13-8-16-34-17-18-35(30(37)32-25-11-4-3-5-12-25)28(21-34)29-31-20-27(33-29)24-15-14-22-9-6-7-10-23(22)19-24/h3-7,9-12,14-15,19-20,28H,2,8,13,16-18,21H2,1H3,(H,31,33)(H,32,37)
InChIKeyXKKNYTNVEBSBHG-UHFFFAOYSA-N
XLogP5.88
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide (CID 135151623) is 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide is CCC(=O)CCCN1CCN(C(=O)Nc2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.
What is the InChIKey of 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is XKKNYTNVEBSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-2-26(36)13-8-16-34-17-18-35(30(37)32-25-11-4-3-5-12-25)28(21-34)29-31-20-27(33-29)24-15-14-22-9-6-7-10-23(22)19-24/h3-7,9-12,14-15,19-20,28H,2,8,13,16-18,21H2,1H3,(H,31,33)(H,32,37).
What are the key properties of 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide?
2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 135151623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).