5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole

C19H13Cl2FN2OS — CID 70911015

IUPAC5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole
SMILESC[C@@H](Oc1csc(-n2cnc3cc(Cl)c(F)cc32)c1)c1ccccc1Cl
InChIInChI=1S/C19H13Cl2FN2OS/c1-11(13-4-2-3-5-14(13)20)25-12-6-19(26-9-12)24-10-23-17-7-15(21)16(22)8-18(17)24/h2-11H,1H3/t11-/m1/s1
InChIKeyUUXZSAZVQJAZOE-LLVKDONJSA-N
MW407.30 g/mol
LogP6.67
Rot. Bonds4

About 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole

5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole (PubChem CID 70911015) has the molecular formula C19H13Cl2FN2OS and a molecular weight of 407.30 g/mol. Its IUPAC name is 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole
PubChem CID70911015
Molecular FormulaC19H13Cl2FN2OS
Molecular Weight407.30 g/mol
Exact Mass406.01
IUPAC Name5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole
SMILESC[C@@H](Oc1csc(-n2cnc3cc(Cl)c(F)cc32)c1)c1ccccc1Cl
InChIInChI=1S/C19H13Cl2FN2OS/c1-11(13-4-2-3-5-14(13)20)25-12-6-19(26-9-12)24-10-23-17-7-15(21)16(22)8-18(17)24/h2-11H,1H3/t11-/m1/s1
InChIKeyUUXZSAZVQJAZOE-LLVKDONJSA-N
XLogP6.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-5,6-dimethoxybenzimidazole
CID 141085635
1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-(1,5-dichloropentan-3-yloxy)benzimidazole
CID 89233156
3-[3-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]benzimidazol-5-yl]oxypentane-1,5-diol
CID 71057037
5-chloro-1-[4-[(1R)-1-[2-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]ethoxy]thiophen-2-yl]-6-fluorobenzimidazole
CID 70911014
3-[4-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophen-2-yl]benzimidazole-5-carbaldehyde
CID 89147877
5-(2-chloropyrimidin-4-yl)-1-[4-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophen-2-yl]benzimidazole
CID 89233165
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carbonitrile
CID 11647864
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-chloro-5-(2-trimethylsilylethoxy)benzimidazol-1-yl]thiophene-2-carboxylic acid
CID 69273241
methyl 3-[1-(2-chlorophenyl)ethoxy]-5-(5-phenylbenzimidazol-1-yl)thiophene-2-carboxylate
CID 69094517
methyl 5-[6-(chloromethyl)benzimidazol-1-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate
CID 76582596
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(2,3-dihydroxypropyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 59821120
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(3-oxopropyl)benzimidazol-1-yl]thiophene-2-carboxamide
CID 59821102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole?
The IUPAC name of 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole (CID 70911015) is 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole.
What is the SMILES notation for 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole?
The canonical SMILES for 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole is C[C@@H](Oc1csc(-n2cnc3cc(Cl)c(F)cc32)c1)c1ccccc1Cl.
What is the InChIKey of 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole?
The InChIKey is UUXZSAZVQJAZOE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H13Cl2FN2OS/c1-11(13-4-2-3-5-14(13)20)25-12-6-19(26-9-12)24-10-23-17-7-15(21)16(22)8-18(17)24/h2-11H,1H3/t11-/m1/s1.
What are the key properties of 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole?
5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole has a molecular weight of 407.30 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-6-fluorobenzimidazole is sourced from PubChem (CID 70911015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).