5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine

C23H24N6 — CID 95128183

IUPAC5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine
SMILESCCc1ncc(-c2c(-c3ccccc3)ncn2[C@@H](c2nccn2C)C2CC2)cn1
InChIInChI=1S/C23H24N6/c1-3-19-25-13-18(14-26-19)21-20(16-7-5-4-6-8-16)27-15-29(21)22(17-9-10-17)23-24-11-12-28(23)2/h4-8,11-15,17,22H,3,9-10H2,1-2H3/t22-/m1/s1
InChIKeyGVNMPVLKYNVCAD-JOCHJYFZSA-N
MW384.49 g/mol
LogP4.30
Rot. Bonds6

About 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine

5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine (PubChem CID 95128183) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine.

Molecular Properties

Compound Name5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine
PubChem CID95128183
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine
SMILESCCc1ncc(-c2c(-c3ccccc3)ncn2[C@@H](c2nccn2C)C2CC2)cn1
InChIInChI=1S/C23H24N6/c1-3-19-25-13-18(14-26-19)21-20(16-7-5-4-6-8-16)27-15-29(21)22(17-9-10-17)23-24-11-12-28(23)2/h4-8,11-15,17,22H,3,9-10H2,1-2H3/t22-/m1/s1
InChIKeyGVNMPVLKYNVCAD-JOCHJYFZSA-N
XLogP4.30
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
CID 95136939
1-methyl-5-[(1S)-3-methyl-1-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]butyl]-1,2,4-triazole
CID 95121745
6-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
CID 95719088
5-(1-methylpyrazol-4-yl)-4-phenyl-1-[3-(2-propan-2-ylimidazol-1-yl)propyl]imidazole
CID 50980964
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
CID 133395870
(3S)-3-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 95147942
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid
CID 70709599
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
4,5-diphenyl-1-propylimidazole
CID 14950648

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine?
The IUPAC name of 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine (CID 95128183) is 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine.
What is the SMILES notation for 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine?
The canonical SMILES for 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine is CCc1ncc(-c2c(-c3ccccc3)ncn2[C@@H](c2nccn2C)C2CC2)cn1.
What is the InChIKey of 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine?
The InChIKey is GVNMPVLKYNVCAD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N6/c1-3-19-25-13-18(14-26-19)21-20(16-7-5-4-6-8-16)27-15-29(21)22(17-9-10-17)23-24-11-12-28(23)2/h4-8,11-15,17,22H,3,9-10H2,1-2H3/t22-/m1/s1.
What are the key properties of 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine?
5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine has a molecular weight of 384.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-2-ethylpyrimidine is sourced from PubChem (CID 95128183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).