1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one

C17H20N2OS — CID 56655584

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccs3)cc21
InChIInChI=1S/C17H20N2OS/c1-17(2,3)11-19-13-8-7-12(15-6-5-9-21-15)10-14(13)18(4)16(19)20/h5-10H,11H2,1-4H3
InChIKeyXEAWHRVWOJFYMY-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.11
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one (PubChem CID 56655584) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one
PubChem CID56655584
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccs3)cc21
InChIInChI=1S/C17H20N2OS/c1-17(2,3)11-19-13-8-7-12(15-6-5-9-21-15)10-14(13)18(4)16(19)20/h5-10H,11H2,1-4H3
InChIKeyXEAWHRVWOJFYMY-UHFFFAOYSA-N
XLogP4.11
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one (CID 56655584) is 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccs3)cc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one?
The InChIKey is XEAWHRVWOJFYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-17(2,3)11-19-13-8-7-12(15-6-5-9-21-15)10-14(13)18(4)16(19)20/h5-10H,11H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one has a molecular weight of 300.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one is sourced from PubChem (CID 56655584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).