(4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C24H21ClN2 — CID 68565625

IUPAC(4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESClc1ccc(C2(C3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3)CC2)cc1
InChIInChI=1S/C24H21ClN2/c25-20-13-11-19(12-14-20)24(15-16-24)23-26-21(17-7-3-1-4-8-17)22(27-23)18-9-5-2-6-10-18/h1-14,21-22H,15-16H2,(H,26,27)/t21-,22+
InChIKeyJBQWOWUHCVIVMS-SZPZYZBQSA-N
MW372.90 g/mol
LogP5.86
Rot. Bonds4

About (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68565625) has the molecular formula C24H21ClN2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68565625
Molecular FormulaC24H21ClN2
Molecular Weight372.90 g/mol
Exact Mass372.14
IUPAC Name(4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESClc1ccc(C2(C3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3)CC2)cc1
InChIInChI=1S/C24H21ClN2/c25-20-13-11-19(12-14-20)24(15-16-24)23-26-21(17-7-3-1-4-8-17)22(27-23)18-9-5-2-6-10-18/h1-14,21-22H,15-16H2,(H,26,27)/t21-,22+
InChIKeyJBQWOWUHCVIVMS-SZPZYZBQSA-N
XLogP5.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68565625) is (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Clc1ccc(C2(C3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3)CC2)cc1.
What is the InChIKey of (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is JBQWOWUHCVIVMS-SZPZYZBQSA-N. The full InChI is InChI=1S/C24H21ClN2/c25-20-13-11-19(12-14-20)24(15-16-24)23-26-21(17-7-3-1-4-8-17)22(27-23)18-9-5-2-6-10-18/h1-14,21-22H,15-16H2,(H,26,27)/t21-,22+.
What are the key properties of (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 372.90 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[1-(4-chlorophenyl)cyclopropyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68565625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).