2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine

C23H22ClN5O2 — CID 161459860

IUPAC2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
SMILESCOc1nc(Cc2ccc(Cl)cc2)nc(Cc2ccc(-n3cnc(C)c3)c(OC)c2)n1
InChIInChI=1S/C23H22ClN5O2/c1-15-13-29(14-25-15)19-9-6-17(10-20(19)30-2)12-22-26-21(27-23(28-22)31-3)11-16-4-7-18(24)8-5-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyWBQPRYGVVOVPSY-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.22
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine

2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine (PubChem CID 161459860) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
PubChem CID161459860
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
SMILESCOc1nc(Cc2ccc(Cl)cc2)nc(Cc2ccc(-n3cnc(C)c3)c(OC)c2)n1
InChIInChI=1S/C23H22ClN5O2/c1-15-13-29(14-25-15)19-9-6-17(10-20(19)30-2)12-22-26-21(27-23(28-22)31-3)11-16-4-7-18(24)8-5-16/h4-10,13-14H,11-12H2,1-3H3
InChIKeyWBQPRYGVVOVPSY-UHFFFAOYSA-N
XLogP4.22
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
CID 146993141
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidine
CID 157117174
methyl 4-[(4-chlorophenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1,3,5-triazine-2-carboxylate
CID 59278681
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
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
CID 161463309
6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 91419407
1-[(4-chlorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 46214068
[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
CID 161238815
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-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58375669
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine (CID 161459860) is 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine is COc1nc(Cc2ccc(Cl)cc2)nc(Cc2ccc(-n3cnc(C)c3)c(OC)c2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine?
The InChIKey is WBQPRYGVVOVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-15-13-29(14-25-15)19-9-6-17(10-20(19)30-2)12-22-26-21(27-23(28-22)31-3)11-16-4-7-18(24)8-5-16/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine?
2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine has a molecular weight of 435.92 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine is sourced from PubChem (CID 161459860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).