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

C27H25N3O3 — CID 52949698

IUPAC1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc(-c2ccco2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H25N3O3/c31-25(15-12-19-10-13-21(14-11-19)20-6-2-1-3-7-20)30-16-4-8-23(30)26(32)27-28-18-22(29-27)24-9-5-17-33-24/h1-3,5-7,9-11,13-14,17-18,23H,4,8,12,15-16H2,(H,28,29)/t23-/m0/s1
InChIKeyJGVHGBFUSQIZIW-QHCPKHFHSA-N
MW439.52 g/mol
LogP5.14
Rot. Bonds7

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

1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (PubChem CID 52949698) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
PubChem CID52949698
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc(-c2ccco2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H25N3O3/c31-25(15-12-19-10-13-21(14-11-19)20-6-2-1-3-7-20)30-16-4-8-23(30)26(32)27-28-18-22(29-27)24-9-5-17-33-24/h1-3,5-7,9-11,13-14,17-18,23H,4,8,12,15-16H2,(H,28,29)/t23-/m0/s1
InChIKeyJGVHGBFUSQIZIW-QHCPKHFHSA-N
XLogP5.14
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (CID 52949698) is 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is O=C(c1ncc(-c2ccco2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The InChIKey is JGVHGBFUSQIZIW-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-25(15-12-19-10-13-21(14-11-19)20-6-2-1-3-7-20)30-16-4-8-23(30)26(32)27-28-18-22(29-27)24-9-5-17-33-24/h1-3,5-7,9-11,13-14,17-18,23H,4,8,12,15-16H2,(H,28,29)/t23-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one has a molecular weight of 439.52 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-(furan-2-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 52949698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).