(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

C23H26N4O2 — CID 25287412

IUPAC(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2Cc2nccn2C)cc1
InChIInChI=1S/C23H26N4O2/c1-26-15-13-24-22(26)16-27-14-5-8-21(27)23(28)25-20-7-4-3-6-19(20)17-9-11-18(29-2)12-10-17/h3-4,6-7,9-13,15,21H,5,8,14,16H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyBIAJYIJOWMDYNU-OAQYLSRUSA-N
MW390.49 g/mol
LogP3.70
Rot. Bonds6

About (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 25287412) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID25287412
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2Cc2nccn2C)cc1
InChIInChI=1S/C23H26N4O2/c1-26-15-13-24-22(26)16-27-14-5-8-21(27)23(28)25-20-7-4-3-6-19(20)17-9-11-18(29-2)12-10-17/h3-4,6-7,9-13,15,21H,5,8,14,16H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyBIAJYIJOWMDYNU-OAQYLSRUSA-N
XLogP3.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274155
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 45215558
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496
(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42515252
(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
CID 42211902
N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 45186640
(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine-3-carboxamide
CID 42596442
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (CID 25287412) is (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2Cc2nccn2C)cc1.
What is the InChIKey of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BIAJYIJOWMDYNU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26-15-13-24-22(26)16-27-14-5-8-21(27)23(28)25-20-7-4-3-6-19(20)17-9-11-18(29-2)12-10-17/h3-4,6-7,9-13,15,21H,5,8,14,16H2,1-2H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25287412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).