2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine

C17H23N5 — CID 167777884

IUPAC2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
SMILESc1cn(-c2ccnc(N3CCC(C4CCCCC4)C3)n2)cn1
InChIInChI=1S/C17H23N5/c1-2-4-14(5-3-1)15-7-10-21(12-15)17-19-8-6-16(20-17)22-11-9-18-13-22/h6,8-9,11,13-15H,1-5,7,10,12H2
InChIKeyNEOUEVGDAUONOS-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.07
Rot. Bonds3

About 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine

2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine (PubChem CID 167777884) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
PubChem CID167777884
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
SMILESc1cn(-c2ccnc(N3CCC(C4CCCCC4)C3)n2)cn1
InChIInChI=1S/C17H23N5/c1-2-4-14(5-3-1)15-7-10-21(12-15)17-19-8-6-16(20-17)22-11-9-18-13-22/h6,8-9,11,13-15H,1-5,7,10,12H2
InChIKeyNEOUEVGDAUONOS-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine 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-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
The IUPAC name of 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine (CID 167777884) is 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine.
What is the SMILES notation for 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
The canonical SMILES for 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine is c1cn(-c2ccnc(N3CCC(C4CCCCC4)C3)n2)cn1.
What is the InChIKey of 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
The InChIKey is NEOUEVGDAUONOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-4-14(5-3-1)15-7-10-21(12-15)17-19-8-6-16(20-17)22-11-9-18-13-22/h6,8-9,11,13-15H,1-5,7,10,12H2.
What are the key properties of 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine has a molecular weight of 297.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine is sourced from PubChem (CID 167777884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).