2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide

C15H16N4OS — CID 82067994

IUPAC2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(Cc2cccs2)nc2c(N)cccc21
InChIInChI=1S/C15H16N4OS/c1-17-14(20)9-19-12-6-2-5-11(16)15(12)18-13(19)8-10-4-3-7-21-10/h2-7H,8-9,16H2,1H3,(H,17,20)
InChIKeyCBIKMTLWUXEBCL-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.02
Rot. Bonds4

About 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide

2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 82067994) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID82067994
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(Cc2cccs2)nc2c(N)cccc21
InChIInChI=1S/C15H16N4OS/c1-17-14(20)9-19-12-6-2-5-11(16)15(12)18-13(19)8-10-4-3-7-21-10/h2-7H,8-9,16H2,1H3,(H,17,20)
InChIKeyCBIKMTLWUXEBCL-UHFFFAOYSA-N
XLogP2.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide (CID 82067994) is 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(Cc2cccs2)nc2c(N)cccc21.
What is the InChIKey of 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is CBIKMTLWUXEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-17-14(20)9-19-12-6-2-5-11(16)15(12)18-13(19)8-10-4-3-7-21-10/h2-7H,8-9,16H2,1H3,(H,17,20).
What are the key properties of 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide?
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 300.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 82067994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).