2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole

C25H18ClN5OS — CID 59786346

IUPAC2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(Cc2nc(-c3nc4cc5c[nH][nH]c5cc4n3)cs2)c1
InChIInChI=1S/C25H18ClN5OS/c26-18-6-7-23(32-13-15-4-2-1-3-5-15)16(8-18)10-24-28-22(14-33-24)25-29-20-9-17-12-27-31-19(17)11-21(20)30-25/h1-9,11-12,14,27,31H,10,13H2
InChIKeyODPLNZVUMLFLTQ-UHFFFAOYSA-N
MW471.97 g/mol
LogP6.39
Rot. Bonds6

About 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole

2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole (PubChem CID 59786346) has the molecular formula C25H18ClN5OS and a molecular weight of 471.97 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole
PubChem CID59786346
Molecular FormulaC25H18ClN5OS
Molecular Weight471.97 g/mol
Exact Mass471.09
IUPAC Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(Cc2nc(-c3nc4cc5c[nH][nH]c5cc4n3)cs2)c1
InChIInChI=1S/C25H18ClN5OS/c26-18-6-7-23(32-13-15-4-2-1-3-5-15)16(8-18)10-24-28-22(14-33-24)25-29-20-9-17-12-27-31-19(17)11-21(20)30-25/h1-9,11-12,14,27,31H,10,13H2
InChIKeyODPLNZVUMLFLTQ-UHFFFAOYSA-N
XLogP6.39
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.97
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole?
The IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole (CID 59786346) is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole?
The canonical SMILES for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole is Clc1ccc(OCc2ccccc2)c(Cc2nc(-c3nc4cc5c[nH][nH]c5cc4n3)cs2)c1.
What is the InChIKey of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole?
The InChIKey is ODPLNZVUMLFLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5OS/c26-18-6-7-23(32-13-15-4-2-1-3-5-15)16(8-18)10-24-28-22(14-33-24)25-29-20-9-17-12-27-31-19(17)11-21(20)30-25/h1-9,11-12,14,27,31H,10,13H2.
What are the key properties of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole?
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole has a molecular weight of 471.97 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-(1,2-dihydroimidazo[4,5-f]indazol-6-yl)-1,3-thiazole is sourced from PubChem (CID 59786346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).