5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine

C23H22Cl2N4O2 — CID 68752347

IUPAC5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(C2=N[C@@](C)(c3ccc(Cl)cc3)[C@@](C)(c3ccc(Cl)cc3)N2)c(OC)n1
InChIInChI=1S/C23H22Cl2N4O2/c1-22(14-5-9-16(24)10-6-14)23(2,15-7-11-17(25)12-8-15)29-19(28-22)18-13-26-21(31-4)27-20(18)30-3/h5-13H,1-4H3,(H,28,29)/t22-,23+
InChIKeyVRICIFUSYSFXPO-ZRZAMGCNSA-N
MW457.36 g/mol
LogP4.98
Rot. Bonds5

About 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine

5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine (PubChem CID 68752347) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine
PubChem CID68752347
Molecular FormulaC23H22Cl2N4O2
Molecular Weight457.36 g/mol
Exact Mass456.11
IUPAC Name5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(C2=N[C@@](C)(c3ccc(Cl)cc3)[C@@](C)(c3ccc(Cl)cc3)N2)c(OC)n1
InChIInChI=1S/C23H22Cl2N4O2/c1-22(14-5-9-16(24)10-6-14)23(2,15-7-11-17(25)12-8-15)29-19(28-22)18-13-26-21(31-4)27-20(18)30-3/h5-13H,1-4H3,(H,28,29)/t22-,23+
InChIKeyVRICIFUSYSFXPO-ZRZAMGCNSA-N
XLogP4.98
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine?
The IUPAC name of 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine (CID 68752347) is 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine is COc1ncc(C2=N[C@@](C)(c3ccc(Cl)cc3)[C@@](C)(c3ccc(Cl)cc3)N2)c(OC)n1.
What is the InChIKey of 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine?
The InChIKey is VRICIFUSYSFXPO-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c1-22(14-5-9-16(24)10-6-14)23(2,15-7-11-17(25)12-8-15)29-19(28-22)18-13-26-21(31-4)27-20(18)30-3/h5-13H,1-4H3,(H,28,29)/t22-,23+.
What are the key properties of 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine?
5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine has a molecular weight of 457.36 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazol-2-yl]-2,4-dimethoxypyrimidine is sourced from PubChem (CID 68752347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).