1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole

C22H19ClN2S — CID 44579028

IUPAC1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)s1
InChIInChI=1S/C22H19ClN2S/c23-22-11-10-21(26-22)15-20(25-13-12-24-16-25)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,16,20H,14-15H2
InChIKeyFYMXFZZDNDHBPS-UHFFFAOYSA-N
MW378.93 g/mol
LogP6.29
Rot. Bonds6

About 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole

1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole (PubChem CID 44579028) has the molecular formula C22H19ClN2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole
PubChem CID44579028
Molecular FormulaC22H19ClN2S
Molecular Weight378.93 g/mol
Exact Mass378.10
IUPAC Name1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)s1
InChIInChI=1S/C22H19ClN2S/c23-22-11-10-21(26-22)15-20(25-13-12-24-16-25)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,16,20H,14-15H2
InChIKeyFYMXFZZDNDHBPS-UHFFFAOYSA-N
XLogP6.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole (CID 44579028) is 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole is Clc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The InChIKey is FYMXFZZDNDHBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2S/c23-22-11-10-21(26-22)15-20(25-13-12-24-16-25)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,16,20H,14-15H2.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole has a molecular weight of 378.93 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)-3-(4-phenylphenyl)propan-2-yl]imidazole is sourced from PubChem (CID 44579028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).