N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C25H28N4O2 — CID 55556177

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)NCc3ccccc3Cn3ccnc3)CC2=O)c1
InChIInChI=1S/C25H28N4O2/c1-18(2)19-8-5-9-23(12-19)29-16-22(13-24(29)30)25(31)27-14-20-6-3-4-7-21(20)15-28-11-10-26-17-28/h3-12,17-18,22H,13-16H2,1-2H3,(H,27,31)
InChIKeyBNTNETJXVBLDGQ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 55556177) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID55556177
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)NCc3ccccc3Cn3ccnc3)CC2=O)c1
InChIInChI=1S/C25H28N4O2/c1-18(2)19-8-5-9-23(12-19)29-16-22(13-24(29)30)25(31)27-14-20-6-3-4-7-21(20)15-28-11-10-26-17-28/h3-12,17-18,22H,13-16H2,1-2H3,(H,27,31)
InChIKeyBNTNETJXVBLDGQ-UHFFFAOYSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylbutyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55980420
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55749611
1-[3-(difluoromethyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 166541592
5-oxo-N-[2-oxo-2-(propylamino)ethyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053458
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55744996
(3R)-1-(3-bromophenyl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 37183309
(3R)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 30892212
1-(3-bromophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42952883
5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 166185246
1-(4-ethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 60574514
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 55556177) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(N2CC(C(=O)NCc3ccccc3Cn3ccnc3)CC2=O)c1.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BNTNETJXVBLDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18(2)19-8-5-9-23(12-19)29-16-22(13-24(29)30)25(31)27-14-20-6-3-4-7-21(20)15-28-11-10-26-17-28/h3-12,17-18,22H,13-16H2,1-2H3,(H,27,31).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55556177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).