1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one

C29H26ClN3O2 — CID 52942838

IUPAC1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc(-c2cccc(Cl)c2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26ClN3O2/c30-24-9-4-8-23(18-24)25-19-31-29(32-25)28(35)26-10-5-17-33(26)27(34)16-13-20-11-14-22(15-12-20)21-6-2-1-3-7-21/h1-4,6-9,11-12,14-15,18-19,26H,5,10,13,16-17H2,(H,31,32)/t26-/m0/s1
InChIKeyYRBNWLFNESEAEN-SANMLTNESA-N
MW484.00 g/mol
LogP6.20
Rot. Bonds7

About 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one

1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (PubChem CID 52942838) has the molecular formula C29H26ClN3O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
PubChem CID52942838
Molecular FormulaC29H26ClN3O2
Molecular Weight484.00 g/mol
Exact Mass483.17
IUPAC Name1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc(-c2cccc(Cl)c2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26ClN3O2/c30-24-9-4-8-23(18-24)25-19-31-29(32-25)28(35)26-10-5-17-33(26)27(34)16-13-20-11-14-22(15-12-20)21-6-2-1-3-7-21/h1-4,6-9,11-12,14-15,18-19,26H,5,10,13,16-17H2,(H,31,32)/t26-/m0/s1
InChIKeyYRBNWLFNESEAEN-SANMLTNESA-N
XLogP6.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2S)-2-(1H-benzimidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
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1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
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CID 119365191
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1-[(2S)-2-[5-[4-[4-[2-[(1S)-1-(methylamino)ethyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 59386211
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110255306
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
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1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (CID 52942838) is 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is O=C(c1ncc(-c2cccc(Cl)c2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The InChIKey is YRBNWLFNESEAEN-SANMLTNESA-N. The full InChI is InChI=1S/C29H26ClN3O2/c30-24-9-4-8-23(18-24)25-19-31-29(32-25)28(35)26-10-5-17-33(26)27(34)16-13-20-11-14-22(15-12-20)21-6-2-1-3-7-21/h1-4,6-9,11-12,14-15,18-19,26H,5,10,13,16-17H2,(H,31,32)/t26-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one has a molecular weight of 484.00 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 52942838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).