N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

C15H13Cl2N3OS2 — CID 71882719

IUPACN-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESCn1c(NC(=O)CSCc2ccc(Cl)s2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13Cl2N3OS2/c1-20-12-4-2-9(16)6-11(12)18-15(20)19-14(21)8-22-7-10-3-5-13(17)23-10/h2-6H,7-8H2,1H3,(H,18,19,21)
InChIKeyHVIQPROICBMQRH-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.81
Rot. Bonds5

About N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide

N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (PubChem CID 71882719) has the molecular formula C15H13Cl2N3OS2 and a molecular weight of 386.33 g/mol. Its IUPAC name is N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
PubChem CID71882719
Molecular FormulaC15H13Cl2N3OS2
Molecular Weight386.33 g/mol
Exact Mass384.99
IUPAC NameN-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
SMILESCn1c(NC(=O)CSCc2ccc(Cl)s2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13Cl2N3OS2/c1-20-12-4-2-9(16)6-11(12)18-15(20)19-14(21)8-22-7-10-3-5-13(17)23-10/h2-6H,7-8H2,1H3,(H,18,19,21)
InChIKeyHVIQPROICBMQRH-UHFFFAOYSA-N
XLogP4.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide (CID 71882719) is N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is Cn1c(NC(=O)CSCc2ccc(Cl)s2)nc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
The InChIKey is HVIQPROICBMQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3OS2/c1-20-12-4-2-9(16)6-11(12)18-15(20)19-14(21)8-22-7-10-3-5-13(17)23-10/h2-6H,7-8H2,1H3,(H,18,19,21).
What are the key properties of N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide?
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide has a molecular weight of 386.33 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 71882719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).