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

C26H27N3O2 — CID 52943320

IUPAC1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc(C2CC2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c30-24(15-10-18-8-11-20(12-9-18)19-5-2-1-3-6-19)29-16-4-7-23(29)25(31)26-27-17-22(28-26)21-13-14-21/h1-3,5-6,8-9,11-12,17,21,23H,4,7,10,13-16H2,(H,27,28)/t23-/m0/s1
InChIKeyRVQRMTDNDAQONL-QHCPKHFHSA-N
MW413.52 g/mol
LogP4.76
Rot. Bonds7

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

1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (PubChem CID 52943320) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
PubChem CID52943320
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ncc(C2CC2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c30-24(15-10-18-8-11-20(12-9-18)19-5-2-1-3-6-19)29-16-4-7-23(29)25(31)26-27-17-22(28-26)21-13-14-21/h1-3,5-6,8-9,11-12,17,21,23H,4,7,10,13-16H2,(H,27,28)/t23-/m0/s1
InChIKeyRVQRMTDNDAQONL-QHCPKHFHSA-N
XLogP4.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (CID 52943320) is 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is O=C(c1ncc(C2CC2)[nH]1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The InChIKey is RVQRMTDNDAQONL-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-24(15-10-18-8-11-20(12-9-18)19-5-2-1-3-6-19)29-16-4-7-23(29)25(31)26-27-17-22(28-26)21-13-14-21/h1-3,5-6,8-9,11-12,17,21,23H,4,7,10,13-16H2,(H,27,28)/t23-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one has a molecular weight of 413.52 g/mol, XLogP of 4.76, 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-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 52943320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).