2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

C16H23N3OS — CID 2522982

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)N(C(C)C)C(C)C)[nH]c2c1
InChIInChI=1S/C16H23N3OS/c1-10(2)19(11(3)4)15(20)9-21-16-17-13-7-6-12(5)8-14(13)18-16/h6-8,10-11H,9H2,1-5H3,(H,17,18)
InChIKeyLRTPCNVRVFSJAE-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.61
Rot. Bonds5

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 2522982) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID2522982
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc2nc(SCC(=O)N(C(C)C)C(C)C)[nH]c2c1
InChIInChI=1S/C16H23N3OS/c1-10(2)19(11(3)4)15(20)9-21-16-17-13-7-6-12(5)8-14(13)18-16/h6-8,10-11H,9H2,1-5H3,(H,17,18)
InChIKeyLRTPCNVRVFSJAE-UHFFFAOYSA-N
XLogP3.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 2522982) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is Cc1ccc2nc(SCC(=O)N(C(C)C)C(C)C)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is LRTPCNVRVFSJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10(2)19(11(3)4)15(20)9-21-16-17-13-7-6-12(5)8-14(13)18-16/h6-8,10-11H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 2522982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).