8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

C24H16ClN3S — CID 23958761

IUPAC8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESS=c1ncc(-c2ccc(Cl)cc2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cn12
InChIInChI=1S/C24H16ClN3S/c25-20-12-10-18(11-13-20)21-14-26-24(29)28-15-22(27-23(21)28)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-15,27H
InChIKeyQKRFYRZNMCKQGH-UHFFFAOYSA-N
MW413.93 g/mol
LogP7.05
Rot. Bonds3

About 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione

8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (PubChem CID 23958761) has the molecular formula C24H16ClN3S and a molecular weight of 413.93 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.

Molecular Properties

Compound Name8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
PubChem CID23958761
Molecular FormulaC24H16ClN3S
Molecular Weight413.93 g/mol
Exact Mass413.08
IUPAC Name8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
SMILESS=c1ncc(-c2ccc(Cl)cc2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cn12
InChIInChI=1S/C24H16ClN3S/c25-20-12-10-18(11-13-20)21-14-26-24(29)28-15-22(27-23(21)28)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-15,27H
InChIKeyQKRFYRZNMCKQGH-UHFFFAOYSA-N
XLogP7.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.93
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3-chloro-4-methylphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23907328
2-(4-ethoxyphenyl)-8-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23765467
2-(2,4-dichlorophenyl)-8-(4-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23906551
8-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23988454
2-(3-chloro-2-methylphenyl)-8-(4-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23762521
6-(4-ethoxyphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
CID 23935817
3-(4-chlorophenyl)-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126058344
6-(4-chlorophenyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106513843
6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
3-chloro-6-phenylimidazo[1,2-a]pyridine
CID 119081486
2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
1-chloro-4-phenylbenzene;ethanamine
CID 174641678

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The IUPAC name of 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione (CID 23958761) is 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione.
What is the SMILES notation for 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The canonical SMILES for 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is S=c1ncc(-c2ccc(Cl)cc2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cn12.
What is the InChIKey of 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
The InChIKey is QKRFYRZNMCKQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3S/c25-20-12-10-18(11-13-20)21-14-26-24(29)28-15-22(27-23(21)28)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-15,27H.
What are the key properties of 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione?
8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione has a molecular weight of 413.93 g/mol, XLogP of 7.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione is sourced from PubChem (CID 23958761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).