3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine

C14H15N3S — CID 82946515

IUPAC3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(C)c2nc(-c3cc(C)sc3N)[nH]c2c1
InChIInChI=1S/C14H15N3S/c1-7-4-8(2)12-11(5-7)16-14(17-12)10-6-9(3)18-13(10)15/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyFVDSFXPXFSFSHX-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.80
Rot. Bonds1

About 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine

3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine (PubChem CID 82946515) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
PubChem CID82946515
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(C)c2nc(-c3cc(C)sc3N)[nH]c2c1
InChIInChI=1S/C14H15N3S/c1-7-4-8(2)12-11(5-7)16-14(17-12)10-6-9(3)18-13(10)15/h4-6H,15H2,1-3H3,(H,16,17)
InChIKeyFVDSFXPXFSFSHX-UHFFFAOYSA-N
XLogP3.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine (CID 82946515) is 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine is Cc1cc(C)c2nc(-c3cc(C)sc3N)[nH]c2c1.
What is the InChIKey of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine?
The InChIKey is FVDSFXPXFSFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-7-4-8(2)12-11(5-7)16-14(17-12)10-6-9(3)18-13(10)15/h4-6H,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine?
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine has a molecular weight of 257.36 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine is sourced from PubChem (CID 82946515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).