[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine

C12H15N3S — CID 103386678

IUPAC[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2nc3c([nH]2)CCCC3)s1
InChIInChI=1S/C12H15N3S/c13-7-8-5-6-11(16-8)12-14-9-3-1-2-4-10(9)15-12/h5-6H,1-4,7,13H2,(H,14,15)
InChIKeyIROAWILPEXCDLG-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.48
Rot. Bonds2

About [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine

[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine (PubChem CID 103386678) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine
PubChem CID103386678
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2nc3c([nH]2)CCCC3)s1
InChIInChI=1S/C12H15N3S/c13-7-8-5-6-11(16-8)12-14-9-3-1-2-4-10(9)15-12/h5-6H,1-4,7,13H2,(H,14,15)
InChIKeyIROAWILPEXCDLG-UHFFFAOYSA-N
XLogP2.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine (CID 103386678) is [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine is NCc1ccc(-c2nc3c([nH]2)CCCC3)s1.
What is the InChIKey of [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine?
The InChIKey is IROAWILPEXCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-7-8-5-6-11(16-8)12-14-9-3-1-2-4-10(9)15-12/h5-6H,1-4,7,13H2,(H,14,15).
What are the key properties of [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine?
[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine is sourced from PubChem (CID 103386678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).