4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine

C20H20N4 — CID 50979575

IUPAC4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine
SMILESCCc1nccc(-c2c(-c3ccccc3)ncn2C2CC=CC2)n1
InChIInChI=1S/C20H20N4/c1-2-18-21-13-12-17(23-18)20-19(15-8-4-3-5-9-15)22-14-24(20)16-10-6-7-11-16/h3-9,12-14,16H,2,10-11H2,1H3
InChIKeyUHAXORJWURMGET-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.46
Rot. Bonds4

About 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine

4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine (PubChem CID 50979575) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine
PubChem CID50979575
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine
SMILESCCc1nccc(-c2c(-c3ccccc3)ncn2C2CC=CC2)n1
InChIInChI=1S/C20H20N4/c1-2-18-21-13-12-17(23-18)20-19(15-8-4-3-5-9-15)22-14-24(20)16-10-6-7-11-16/h3-9,12-14,16H,2,10-11H2,1H3
InChIKeyUHAXORJWURMGET-UHFFFAOYSA-N
XLogP4.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1-ethyl-4-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]pyrrolidin-2-one
CID 95120380
2-[3-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]propyl]phenol
CID 50981552
4-[4-(4-fluorophenyl)-5-[2-(hydroxymethyl)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 58473081
N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 142630915
8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline
CID 50971873
4-[5-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-phenylpyrimidin-2-amine
CID 70225638
4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
CID 50970354
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 23133387
benzyl N-[4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamate
CID 153461579
4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride
CID 154924681
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 135370833

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine?
The IUPAC name of 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine (CID 50979575) is 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine.
What is the SMILES notation for 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine?
The canonical SMILES for 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine is CCc1nccc(-c2c(-c3ccccc3)ncn2C2CC=CC2)n1.
What is the InChIKey of 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine?
The InChIKey is UHAXORJWURMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-18-21-13-12-17(23-18)20-19(15-8-4-3-5-9-15)22-14-24(20)16-10-6-7-11-16/h3-9,12-14,16H,2,10-11H2,1H3.
What are the key properties of 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine?
4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine has a molecular weight of 316.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine is sourced from PubChem (CID 50979575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).