(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol

C23H18ClN3OS2 — CID 163923868

IUPAC(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol
SMILESCCc1cnc(-c2sc(-c3ccnc4ccsc34)cc2C(O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H18ClN3OS2/c1-2-15-12-26-23(27-15)22-17(20(28)13-3-5-14(24)6-4-13)11-19(30-22)16-7-9-25-18-8-10-29-21(16)18/h3-12,20,28H,2H2,1H3,(H,26,27)
InChIKeyRCTMFXORSRNDKV-UHFFFAOYSA-N
MW452.00 g/mol
LogP6.71
Rot. Bonds5

About (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol

(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol (PubChem CID 163923868) has the molecular formula C23H18ClN3OS2 and a molecular weight of 452.00 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol
PubChem CID163923868
Molecular FormulaC23H18ClN3OS2
Molecular Weight452.00 g/mol
Exact Mass451.06
IUPAC Name(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol
SMILESCCc1cnc(-c2sc(-c3ccnc4ccsc34)cc2C(O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H18ClN3OS2/c1-2-15-12-26-23(27-15)22-17(20(28)13-3-5-14(24)6-4-13)11-19(30-22)16-7-9-25-18-8-10-29-21(16)18/h3-12,20,28H,2H2,1H3,(H,26,27)
InChIKeyRCTMFXORSRNDKV-UHFFFAOYSA-N
XLogP6.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US9096589, 1-(4-Chloro-phenyl)-2-{2-[2-(5,7-dimethyl-imidazo[1,2-a]pyrimidin-2-yl)-ethyl]-4-thiazol-5-yl-imidazol-1-yl}-ethanol
CID 53251776
(R)-(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
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(S)-(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
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(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 90320738
(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 90320743
(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
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(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol
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(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 144331704
(2-{2-[6-Chloro-3-isobutyl-1H-indol-1-yl]-1,3-thiazol-4-yl}-1H-benzimidazol-4-yl)methanol
CID 24860866
[3-[2-(5-Chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 44230603
[4-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
CID 44233542
[5-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
CID 44233543

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol (CID 163923868) is (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol is CCc1cnc(-c2sc(-c3ccnc4ccsc34)cc2C(O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol?
The InChIKey is RCTMFXORSRNDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3OS2/c1-2-15-12-26-23(27-15)22-17(20(28)13-3-5-14(24)6-4-13)11-19(30-22)16-7-9-25-18-8-10-29-21(16)18/h3-12,20,28H,2H2,1H3,(H,26,27).
What are the key properties of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol?
(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol has a molecular weight of 452.00 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-thieno[3,2-b]pyridin-7-ylthiophen-3-yl]methanol is sourced from PubChem (CID 163923868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).