2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine

C12H11N3S — CID 24695739

IUPAC2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
SMILESCc1ccsc1-c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H11N3S/c1-7-4-5-16-11(7)12-14-9-3-2-8(13)6-10(9)15-12/h2-6H,13H2,1H3,(H,14,15)
InChIKeyYRNNUSGNKVPELW-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.18
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine

2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine (PubChem CID 24695739) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
PubChem CID24695739
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
SMILESCc1ccsc1-c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H11N3S/c1-7-4-5-16-11(7)12-14-9-3-2-8(13)6-10(9)15-12/h2-6H,13H2,1H3,(H,14,15)
InChIKeyYRNNUSGNKVPELW-UHFFFAOYSA-N
XLogP3.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine (CID 24695739) is 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine is Cc1ccsc1-c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine?
The InChIKey is YRNNUSGNKVPELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-7-4-5-16-11(7)12-14-9-3-2-8(13)6-10(9)15-12/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine?
2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine has a molecular weight of 229.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 24695739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).