N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C17H16ClN3O2S — CID 1342313

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H16ClN3O2S/c1-10-3-5-12-13(7-10)21-17(20-12)24-9-16(22)19-14-8-11(18)4-6-15(14)23-2/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIKVOLSAUSHTOHI-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.26
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 1342313) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID1342313
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H16ClN3O2S/c1-10-3-5-12-13(7-10)21-17(20-12)24-9-16(22)19-14-8-11(18)4-6-15(14)23-2/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIKVOLSAUSHTOHI-UHFFFAOYSA-N
XLogP4.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 1342313) is N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is IKVOLSAUSHTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-10-3-5-12-13(7-10)21-17(20-12)24-9-16(22)19-14-8-11(18)4-6-15(14)23-2/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1342313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).