1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol

C24H23ClN6OS — CID 53251776

IUPAC1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cncs4)cn3CC(O)c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C24H23ClN6OS/c1-15-9-16(2)31-11-19(28-24(31)27-15)7-8-23-29-20(22-10-26-14-33-22)12-30(23)13-21(32)17-3-5-18(25)6-4-17/h3-6,9-12,14,21,32H,7-8,13H2,1-2H3
InChIKeyVBIPSTGQANQRON-UHFFFAOYSA-N
MW479.01 g/mol
LogP4.84
Rot. Bonds7

About 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol

1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol (PubChem CID 53251776) has the molecular formula C24H23ClN6OS and a molecular weight of 479.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol
PubChem CID53251776
Molecular FormulaC24H23ClN6OS
Molecular Weight479.01 g/mol
Exact Mass478.13
IUPAC Name1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol
SMILESCc1cc(C)n2cc(CCc3nc(-c4cncs4)cn3CC(O)c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C24H23ClN6OS/c1-15-9-16(2)31-11-19(28-24(31)27-15)7-8-23-29-20(22-10-26-14-33-22)12-30(23)13-21(32)17-3-5-18(25)6-4-17/h3-6,9-12,14,21,32H,7-8,13H2,1-2H3
InChIKeyVBIPSTGQANQRON-UHFFFAOYSA-N
XLogP4.84
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.01
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol (CID 53251776) is 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol is Cc1cc(C)n2cc(CCc3nc(-c4cncs4)cn3CC(O)c3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol?
The InChIKey is VBIPSTGQANQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6OS/c1-15-9-16(2)31-11-19(28-24(31)27-15)7-8-23-29-20(22-10-26-14-33-22)12-30(23)13-21(32)17-3-5-18(25)6-4-17/h3-6,9-12,14,21,32H,7-8,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol?
1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol has a molecular weight of 479.01 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-[2-(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)ethyl]-4-(1,3-thiazol-5-yl)imidazol-1-yl]ethanol is sourced from PubChem (CID 53251776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).