[(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone

C23H20ClN3O2 — CID 134131541

IUPAC[(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H20ClN3O2/c24-18-9-7-15(8-10-18)19-13-25-22(26-19)20-5-3-11-27(20)23(28)17-12-16-4-1-2-6-21(16)29-14-17/h1-2,4,6-10,12-13,20H,3,5,11,14H2,(H,25,26)/t20-/m0/s1
InChIKeyHYPRTMZYEIYYBW-FQEVSTJZSA-N
MW405.89 g/mol
LogP4.87
Rot. Bonds3

About [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone

[(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone (PubChem CID 134131541) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone
PubChem CID134131541
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name[(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H20ClN3O2/c24-18-9-7-15(8-10-18)19-13-25-22(26-19)20-5-3-11-27(20)23(28)17-12-16-4-1-2-6-21(16)29-14-17/h1-2,4,6-10,12-13,20H,3,5,11,14H2,(H,25,26)/t20-/m0/s1
InChIKeyHYPRTMZYEIYYBW-FQEVSTJZSA-N
XLogP4.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone?
The IUPAC name of [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone (CID 134131541) is [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone?
The canonical SMILES for [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone is O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone?
The InChIKey is HYPRTMZYEIYYBW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-18-9-7-15(8-10-18)19-13-25-22(26-19)20-5-3-11-27(20)23(28)17-12-16-4-1-2-6-21(16)29-14-17/h1-2,4,6-10,12-13,20H,3,5,11,14H2,(H,25,26)/t20-/m0/s1.
What are the key properties of [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone?
[(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone has a molecular weight of 405.89 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(2H-chromen-3-yl)methanone is sourced from PubChem (CID 134131541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).