(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide

C23H26N4O2 — CID 25286689

IUPAC(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3Cc3cnc(C)[nH]3)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-16-24-14-20(25-16)15-27-12-4-7-22(27)23(28)26-19-10-8-17(9-11-19)18-5-3-6-21(13-18)29-2/h3,5-6,8-11,13-14,22H,4,7,12,15H2,1-2H3,(H,24,25)(H,26,28)/t22-/m1/s1
InChIKeyHJIMGWHSBGGXOV-JOCHJYFZSA-N
MW390.49 g/mol
LogP4.00
Rot. Bonds6

About (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide

(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 25286689) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID25286689
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3Cc3cnc(C)[nH]3)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-16-24-14-20(25-16)15-27-12-4-7-22(27)23(28)26-19-10-8-17(9-11-19)18-5-3-6-21(13-18)29-2/h3,5-6,8-11,13-14,22H,4,7,12,15H2,1-2H3,(H,24,25)(H,26,28)/t22-/m1/s1
InChIKeyHJIMGWHSBGGXOV-JOCHJYFZSA-N
XLogP4.00
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 72887571
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 45213408
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 26871829
(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274414
(2S)-1-N-[4-(3-methoxyphenyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97452585
(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
CID 42596442
1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
CID 72877644
(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42518874
N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45178841
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
1-(1,3-benzothiazol-2-ylmethyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 47055497

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 25286689) is (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide is COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3Cc3cnc(C)[nH]3)cc2)c1.
What is the InChIKey of (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is HJIMGWHSBGGXOV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-24-14-20(25-16)15-27-12-4-7-22(27)23(28)26-19-10-8-17(9-11-19)18-5-3-6-21(13-18)29-2/h3,5-6,8-11,13-14,22H,4,7,12,15H2,1-2H3,(H,24,25)(H,26,28)/t22-/m1/s1.
What are the key properties of (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25286689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).