2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C23H26N4O — CID 86274086

IUPAC2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccnc3)c2)(C2CC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H26N4O/c24-22-26-23(18-11-12-18,21(28)27(22)20-9-2-1-3-10-20)19-8-4-6-16(14-19)17-7-5-13-25-15-17/h4-8,13-15,18,20H,1-3,9-12H2,(H2,24,26)
InChIKeyXDWUXRTXFPUVJX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.84
Rot. Bonds4

About 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 86274086) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID86274086
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccnc3)c2)(C2CC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H26N4O/c24-22-26-23(18-11-12-18,21(28)27(22)20-9-2-1-3-10-20)19-8-4-6-16(14-19)17-7-5-13-25-15-17/h4-8,13-15,18,20H,1-3,9-12H2,(H2,24,26)
InChIKeyXDWUXRTXFPUVJX-UHFFFAOYSA-N
XLogP3.84
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 86274086) is 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is NC1=NC(c2cccc(-c3cccnc3)c2)(C2CC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is XDWUXRTXFPUVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c24-22-26-23(18-11-12-18,21(28)27(22)20-9-2-1-3-10-20)19-8-4-6-16(14-19)17-7-5-13-25-15-17/h4-8,13-15,18,20H,1-3,9-12H2,(H2,24,26).
What are the key properties of 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 374.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-5-cyclopropyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 86274086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).