[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine

C13H13N3S — CID 79004485

IUPAC[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
SMILESCc1ccsc1-c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C13H13N3S/c1-8-4-5-17-12(8)13-15-10-3-2-9(7-14)6-11(10)16-13/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyVAOSZJPHKDIWKM-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.06
Rot. Bonds2

About [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine

[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004485) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004485
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
SMILESCc1ccsc1-c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C13H13N3S/c1-8-4-5-17-12(8)13-15-10-3-2-9(7-14)6-11(10)16-13/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyVAOSZJPHKDIWKM-UHFFFAOYSA-N
XLogP3.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine (CID 79004485) is [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine is Cc1ccsc1-c1nc2ccc(CN)cc2[nH]1.
What is the InChIKey of [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is VAOSZJPHKDIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-8-4-5-17-12(8)13-15-10-3-2-9(7-14)6-11(10)16-13/h2-6H,7,14H2,1H3,(H,15,16).
What are the key properties of [2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine?
[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 243.34 g/mol, XLogP of 3.06, 2 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-yl]methanamine is sourced from PubChem (CID 79004485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).