2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol

C24H24N4O2S — CID 71217250

IUPAC2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol
SMILESCOCCn1c(-c2cnc(-c3ccc4sccc4c3)[nH]2)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C24H24N4O2S/c1-24(2,29)17-5-6-20-18(13-17)27-23(28(20)9-10-30-3)19-14-25-22(26-19)16-4-7-21-15(12-16)8-11-31-21/h4-8,11-14,29H,9-10H2,1-3H3,(H,25,26)
InChIKeyIGIRFSHVBFABTO-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.18
Rot. Bonds6

About 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol

2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol (PubChem CID 71217250) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol
PubChem CID71217250
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol
SMILESCOCCn1c(-c2cnc(-c3ccc4sccc4c3)[nH]2)nc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C24H24N4O2S/c1-24(2,29)17-5-6-20-18(13-17)27-23(28(20)9-10-30-3)19-14-25-22(26-19)16-4-7-21-15(12-16)8-11-31-21/h4-8,11-14,29H,9-10H2,1-3H3,(H,25,26)
InChIKeyIGIRFSHVBFABTO-UHFFFAOYSA-N
XLogP5.18
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol (CID 71217250) is 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol is COCCn1c(-c2cnc(-c3ccc4sccc4c3)[nH]2)nc2cc(C(C)(C)O)ccc21.
What is the InChIKey of 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol?
The InChIKey is IGIRFSHVBFABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-24(2,29)17-5-6-20-18(13-17)27-23(28(20)9-10-30-3)19-14-25-22(26-19)16-4-7-21-15(12-16)8-11-31-21/h4-8,11-14,29H,9-10H2,1-3H3,(H,25,26).
What are the key properties of 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol?
2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol has a molecular weight of 432.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-benzothiophen-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)benzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 71217250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).