[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone

C23H25N3O3 — CID 51595988

IUPAC[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2ccnc2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-28-18-9-10-20(22(14-18)29-2)21-8-5-12-26(21)23(27)19-7-4-3-6-17(19)15-25-13-11-24-16-25/h3-4,6-7,9-11,13-14,16,21H,5,8,12,15H2,1-2H3/t21-/m1/s1
InChIKeyMCOLJFAVJGXDSR-OAQYLSRUSA-N
MW391.47 g/mol
LogP3.93
Rot. Bonds6

About [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone

[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 51595988) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID51595988
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2ccnc2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-28-18-9-10-20(22(14-18)29-2)21-8-5-12-26(21)23(27)19-7-4-3-6-17(19)15-25-13-11-24-16-25/h3-4,6-7,9-11,13-14,16,21H,5,8,12,15H2,1-2H3/t21-/m1/s1
InChIKeyMCOLJFAVJGXDSR-OAQYLSRUSA-N
XLogP3.93
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
CID 55985930
[(2R)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 124983115
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
[(2R)-2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 125023413
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129393336
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone (CID 51595988) is [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone is COc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2ccnc2)c(OC)c1.
What is the InChIKey of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is MCOLJFAVJGXDSR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-18-9-10-20(22(14-18)29-2)21-8-5-12-26(21)23(27)19-7-4-3-6-17(19)15-25-13-11-24-16-25/h3-4,6-7,9-11,13-14,16,21H,5,8,12,15H2,1-2H3/t21-/m1/s1.
What are the key properties of [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone?
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 51595988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).