4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine

C24H23ClN4O — CID 146993141

IUPAC4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
SMILESCOc1cc(Cc2nc(C)cc(Cc3cccc(Cl)c3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN4O/c1-16-9-21(11-18-5-4-6-20(25)10-18)28-24(27-16)13-19-7-8-22(23(12-19)30-3)29-14-17(2)26-15-29/h4-10,12,14-15H,11,13H2,1-3H3
InChIKeyAQOXVGQZQSLAEH-UHFFFAOYSA-N
MW418.93 g/mol
LogP5.12
Rot. Bonds6

About 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine

4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine (PubChem CID 146993141) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
PubChem CID146993141
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
SMILESCOc1cc(Cc2nc(C)cc(Cc3cccc(Cl)c3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN4O/c1-16-9-21(11-18-5-4-6-20(25)10-18)28-24(27-16)13-19-7-8-22(23(12-19)30-3)29-14-17(2)26-15-29/h4-10,12,14-15H,11,13H2,1-3H3
InChIKeyAQOXVGQZQSLAEH-UHFFFAOYSA-N
XLogP5.12
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidine
CID 157117174
2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
CID 161459860
2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
CID 161463309
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
CID 161238815
5-(4-chlorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-7-one
CID 58375688
N-[[2-[(3-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745702
8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 58375643
2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 58375729
2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-7-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58375669
ethyl 2-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-5-phenylpyrimidin-4-yl]-2-phenylacetate
CID 159997126
1-[(4-chlorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 46214068

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine (CID 146993141) is 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine is COc1cc(Cc2nc(C)cc(Cc3cccc(Cl)c3)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine?
The InChIKey is AQOXVGQZQSLAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-16-9-21(11-18-5-4-6-20(25)10-18)28-24(27-16)13-19-7-8-22(23(12-19)30-3)29-14-17(2)26-15-29/h4-10,12,14-15H,11,13H2,1-3H3.
What are the key properties of 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine?
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine has a molecular weight of 418.93 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine is sourced from PubChem (CID 146993141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).