(2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide

C32H34N4O5 — CID 143507089

IUPAC(2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc([C@@H](OC)C(=O)N2[C@H](C)CC[C@H]2C(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)cc1OC
InChIInChI=1S/C32H34N4O5/c1-21-15-17-26(36(21)31(38)29(41-4)23-16-18-27(39-2)28(19-23)40-3)30(37)34-32-33-25(22-11-7-5-8-12-22)20-35(32)24-13-9-6-10-14-24/h5-14,16,18-21,26,29H,15,17H2,1-4H3,(H,33,34,37)/t21-,26+,29-/m1/s1
InChIKeyJMCWGIZHHOHQOS-BHAWFMJASA-N
MW554.65 g/mol
LogP5.26
Rot. Bonds9

About (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide

(2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide (PubChem CID 143507089) has the molecular formula C32H34N4O5 and a molecular weight of 554.65 g/mol. Its IUPAC name is (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide
PubChem CID143507089
Molecular FormulaC32H34N4O5
Molecular Weight554.65 g/mol
Exact Mass554.25
IUPAC Name(2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide
SMILESCOc1ccc([C@@H](OC)C(=O)N2[C@H](C)CC[C@H]2C(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)cc1OC
InChIInChI=1S/C32H34N4O5/c1-21-15-17-26(36(21)31(38)29(41-4)23-16-18-27(39-2)28(19-23)40-3)30(37)34-32-33-25(22-11-7-5-8-12-22)20-35(32)24-13-9-6-10-14-24/h5-14,16,18-21,26,29H,15,17H2,1-4H3,(H,33,34,37)/t21-,26+,29-/m1/s1
InChIKeyJMCWGIZHHOHQOS-BHAWFMJASA-N
XLogP5.26
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,5S)-1-[(2S)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide
CID 70312668
N-[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]-1-[2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-5-methylpyrrolidine-2-carboxamide
CID 70312593
(2R,5S)-N-[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]-1-[(2S)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-5-methylpyrrolidine-2-carboxamide
CID 70314332
methyl 2-(3,4-dimethoxyphenyl)-3-[[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]-3-oxopropanoate
CID 69412695
tert-butyl (2R,5S)-2-[[4-(5-chlorothiophen-2-yl)-1-phenylimidazol-2-yl]carbamoyl]-5-methylpyrrolidine-1-carboxylate
CID 69410146
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
2-(3,4-dimethoxyphenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 23649431
(2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide
CID 68807960
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
CID 42825359
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93151653
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46145049
2-(cyclopropylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42825395

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide (CID 143507089) is (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide is COc1ccc([C@@H](OC)C(=O)N2[C@H](C)CC[C@H]2C(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)cc1OC.
What is the InChIKey of (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide?
The InChIKey is JMCWGIZHHOHQOS-BHAWFMJASA-N. The full InChI is InChI=1S/C32H34N4O5/c1-21-15-17-26(36(21)31(38)29(41-4)23-16-18-27(39-2)28(19-23)40-3)30(37)34-32-33-25(22-11-7-5-8-12-22)20-35(32)24-13-9-6-10-14-24/h5-14,16,18-21,26,29H,15,17H2,1-4H3,(H,33,34,37)/t21-,26+,29-/m1/s1.
What are the key properties of (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide?
(2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide has a molecular weight of 554.65 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-[(2R)-2-(3,4-dimethoxyphenyl)-2-methoxyacetyl]-N-(1,4-diphenylimidazol-2-yl)-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143507089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).