2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole

C20H13FN4OS — CID 141121813

IUPAC2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESFc1ccc(Oc2cc3nc(-c4nccs4)[nH]c3cc2-c2ccc[nH]2)cc1
InChIInChI=1S/C20H13FN4OS/c21-12-3-5-13(6-4-12)26-18-11-17-16(10-14(18)15-2-1-7-22-15)24-19(25-17)20-23-8-9-27-20/h1-11,22H,(H,24,25)
InChIKeyBPZWJKGKJBMHSZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.61
Rot. Bonds4

About 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole

2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole (PubChem CID 141121813) has the molecular formula C20H13FN4OS and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
PubChem CID141121813
Molecular FormulaC20H13FN4OS
Molecular Weight376.42 g/mol
Exact Mass376.08
IUPAC Name2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESFc1ccc(Oc2cc3nc(-c4nccs4)[nH]c3cc2-c2ccc[nH]2)cc1
InChIInChI=1S/C20H13FN4OS/c21-12-3-5-13(6-4-12)26-18-11-17-16(10-14(18)15-2-1-7-22-15)24-19(25-17)20-23-8-9-27-20/h1-11,22H,(H,24,25)
InChIKeyBPZWJKGKJBMHSZ-UHFFFAOYSA-N
XLogP5.61
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole with MolForge

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Related Compounds

6-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]-5-[4-(ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1H-benzimidazole
CID 11649204
5-(4-(ethylsulfonyl)phenoxy)-6-((1-methyl-1H-tetrazol-5-yl)methyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 46226664
5-[4-(Ethylsulfonyl)phenoxy]-6-(1H-imidazol-1-ylmethyl)-2-(pyridin-2-yl)-1H-benzimidazole
CID 46226690
N-(1,3-thiazol-2-ylmethyl)-3-[6-[2-(trifluoromethyl)phenoxy]-1H-benzimidazol-2-yl]benzamide
CID 71568069
6-(4-methoxyphenyl)-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]thiazole
CID 168294301
5-(4-Fluoro-phenoxy)-6-(1-methanesulfonyl-pyrrolidin-2-yl)-2-pyridin-2-yl-1H-benzimidazole
CID 23145556
5-(4-fluoro-phenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole
CID 23145575
N-ethyl-2-(5-(4-fluorophenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)pyrrolidine-1-carboxamide
CID 45269441
1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)imidazolidin-2-one
CID 46226705
US11834453, Example 247
CID 162428890
US11834453, Example 42
CID 166927641
US11834453, Example 41
CID 166927842

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole (CID 141121813) is 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole is Fc1ccc(Oc2cc3nc(-c4nccs4)[nH]c3cc2-c2ccc[nH]2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is BPZWJKGKJBMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4OS/c21-12-3-5-13(6-4-12)26-18-11-17-16(10-14(18)15-2-1-7-22-15)24-19(25-17)20-23-8-9-27-20/h1-11,22H,(H,24,25).
What are the key properties of 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole?
2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 376.42 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenoxy)-6-(1H-pyrrol-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 141121813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).