1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one

C23H27ClN2O3 — CID 90815050

IUPAC1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
SMILESCCCn1c(CCCc2ccc(OC)cc2)c(O)n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H27ClN2O3/c1-3-14-25-21(9-5-6-17-10-12-20(29-2)13-11-17)22(27)26(23(25)28)16-18-7-4-8-19(24)15-18/h4,7-8,10-13,15,27H,3,5-6,9,14,16H2,1-2H3
InChIKeyZXGZMKCYUULZFD-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.65
Rot. Bonds9

About 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one

1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one (PubChem CID 90815050) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
PubChem CID90815050
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
SMILESCCCn1c(CCCc2ccc(OC)cc2)c(O)n(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H27ClN2O3/c1-3-14-25-21(9-5-6-17-10-12-20(29-2)13-11-17)22(27)26(23(25)28)16-18-7-4-8-19(24)15-18/h4,7-8,10-13,15,27H,3,5-6,9,14,16H2,1-2H3
InChIKeyZXGZMKCYUULZFD-UHFFFAOYSA-N
XLogP4.65
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one
CID 91415007
1-(cyclopropylmethyl)-3-[(3,4-dimethylphenyl)methyl]-4-hydroxy-5-[3-(4-methoxyphenyl)propyl]imidazol-2-one
CID 90707846
1-chloro-3-[4-(4-methoxyphenyl)butyl]benzene
CID 131860651
5-[3-(4-hydroxyphenyl)propyl]-2-[(3-methoxyphenyl)methyl]-4-propyl-1,2,4-triazol-3-one
CID 11372453
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
1-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-propylpyrimidine-2,4-dione
CID 14100176
5-(3-chlorobenzoyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118089
N-butyl-4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793305
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
4-[(4-butylphenyl)iminomethyl]-3-hydroxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 4547270
2-[[1-benzyl-4-hydroxy-3-[(3-methoxyphenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831505

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one (CID 90815050) is 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one is CCCn1c(CCCc2ccc(OC)cc2)c(O)n(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
The InChIKey is ZXGZMKCYUULZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-3-14-25-21(9-5-6-17-10-12-20(29-2)13-11-17)22(27)26(23(25)28)16-18-7-4-8-19(24)15-18/h4,7-8,10-13,15,27H,3,5-6,9,14,16H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one?
1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one has a molecular weight of 414.93 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-hydroxy-4-[3-(4-methoxyphenyl)propyl]-3-propylimidazol-2-one is sourced from PubChem (CID 90815050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).