8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione

C24H24ClN3O2S — CID 23857611

IUPAC8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCOc1cc(-c2cnc(=S)n3cc(-c4ccc(CC(C)C)cc4)[nH]c23)c(OC)cc1Cl
InChIInChI=1S/C24H24ClN3O2S/c1-14(2)9-15-5-7-16(8-6-15)20-13-28-23(27-20)18(12-26-24(28)31)17-10-22(30-4)19(25)11-21(17)29-3/h5-8,10-14,27H,9H2,1-4H3
InChIKeyHSVUKHUBIAMFAA-UHFFFAOYSA-N
MW454.00 g/mol
LogP6.59
Rot. Bonds6

About 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione

8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23857611) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 g/mol. Its IUPAC name is 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione
PubChem CID23857611
Molecular FormulaC24H24ClN3O2S
Molecular Weight454.00 g/mol
Exact Mass453.13
IUPAC Name8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESCOc1cc(-c2cnc(=S)n3cc(-c4ccc(CC(C)C)cc4)[nH]c23)c(OC)cc1Cl
InChIInChI=1S/C24H24ClN3O2S/c1-14(2)9-15-5-7-16(8-6-15)20-13-28-23(27-20)18(12-26-24(28)31)17-10-22(30-4)19(25)11-21(17)29-3/h5-8,10-14,27H,9H2,1-4H3
InChIKeyHSVUKHUBIAMFAA-UHFFFAOYSA-N
XLogP6.59
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23857611) is 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione is COc1cc(-c2cnc(=S)n3cc(-c4ccc(CC(C)C)cc4)[nH]c23)c(OC)cc1Cl.
What is the InChIKey of 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is HSVUKHUBIAMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c1-14(2)9-15-5-7-16(8-6-15)20-13-28-23(27-20)18(12-26-24(28)31)17-10-22(30-4)19(25)11-21(17)29-3/h5-8,10-14,27H,9H2,1-4H3.
What are the key properties of 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione?
8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 454.00 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23857611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).