2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide

C24H23N3OS — CID 7309454

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H23N3OS/c1-17-9-8-10-18(2)23(17)26-22(28)16-29-24-25-20-13-6-7-14-21(20)27(24)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyVEOBTCMDNZAHJA-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.43
Rot. Bonds6

About 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide (PubChem CID 7309454) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
PubChem CID7309454
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H23N3OS/c1-17-9-8-10-18(2)23(17)26-22(28)16-29-24-25-20-13-6-7-14-21(20)27(24)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,26,28)
InChIKeyVEOBTCMDNZAHJA-UHFFFAOYSA-N
XLogP5.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide (CID 7309454) is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is VEOBTCMDNZAHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-17-9-8-10-18(2)23(17)26-22(28)16-29-24-25-20-13-6-7-14-21(20)27(24)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,26,28).
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide?
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 401.54 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 7309454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).