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

C23H23N3O2 — CID 52941182

IUPAC1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c27-21(26-16-4-7-20(26)22(28)23-24-14-15-25-23)13-10-17-8-11-19(12-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,14-15,20H,4,7,10,13,16H2,(H,24,25)/t20-/m0/s1
InChIKeyBDIBMCJJUQAJCG-FQEVSTJZSA-N
MW373.46 g/mol
LogP3.88
Rot. Bonds6

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

1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (PubChem CID 52941182) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
PubChem CID52941182
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c27-21(26-16-4-7-20(26)22(28)23-24-14-15-25-23)13-10-17-8-11-19(12-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,14-15,20H,4,7,10,13,16H2,(H,24,25)/t20-/m0/s1
InChIKeyBDIBMCJJUQAJCG-FQEVSTJZSA-N
XLogP3.88
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (CID 52941182) is 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is O=C(c1ncc[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The InChIKey is BDIBMCJJUQAJCG-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21(26-16-4-7-20(26)22(28)23-24-14-15-25-23)13-10-17-8-11-19(12-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,14-15,20H,4,7,10,13,16H2,(H,24,25)/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one has a molecular weight of 373.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 52941182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).