N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide

C25H28N4O4 — CID 55985930

IUPACN-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
SMILESCOc1ccc(C2CCCN2C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-32-20-8-9-21(23(16-20)33-2)22-7-4-12-29(22)25(31)18-5-3-6-19(15-18)27-24(30)10-13-28-14-11-26-17-28/h3,5-6,8-9,11,14-17,22H,4,7,10,12-13H2,1-2H3,(H,27,30)
InChIKeyGRNZIVBAEGJBKV-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.91
Rot. Bonds8

About N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide

N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide (PubChem CID 55985930) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
PubChem CID55985930
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
SMILESCOc1ccc(C2CCCN2C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-32-20-8-9-21(23(16-20)33-2)22-7-4-12-29(22)25(31)18-5-3-6-19(15-18)27-24(30)10-13-28-14-11-26-17-28/h3,5-6,8-9,11,14-17,22H,4,7,10,12-13H2,1-2H3,(H,27,30)
InChIKeyGRNZIVBAEGJBKV-UHFFFAOYSA-N
XLogP3.91
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(imidazol-1-ylmethyl)phenyl]methanone
CID 51595988
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
CID 55388968
(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
N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124293
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46510365
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
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 55555216
N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 46510472

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide (CID 55985930) is N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide is COc1ccc(C2CCCN2C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c(OC)c1.
What is the InChIKey of N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
The InChIKey is GRNZIVBAEGJBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-32-20-8-9-21(23(16-20)33-2)22-7-4-12-29(22)25(31)18-5-3-6-19(15-18)27-24(30)10-13-28-14-11-26-17-28/h3,5-6,8-9,11,14-17,22H,4,7,10,12-13H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide has a molecular weight of 448.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 55985930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).