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

C15H17N3S — CID 62336559

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1cc2nc(-c3c(N)sc(C)c3C)[nH]c2cc1C
InChIInChI=1S/C15H17N3S/c1-7-5-11-12(6-8(7)2)18-15(17-11)13-9(3)10(4)19-14(13)16/h5-6H,16H2,1-4H3,(H,17,18)
InChIKeyDKWNADJUXSXZIS-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.11
Rot. Bonds1

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

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (PubChem CID 62336559) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
PubChem CID62336559
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
SMILESCc1cc2nc(-c3c(N)sc(C)c3C)[nH]c2cc1C
InChIInChI=1S/C15H17N3S/c1-7-5-11-12(6-8(7)2)18-15(17-11)13-9(3)10(4)19-14(13)16/h5-6H,16H2,1-4H3,(H,17,18)
InChIKeyDKWNADJUXSXZIS-UHFFFAOYSA-N
XLogP4.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine (CID 62336559) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is Cc1cc2nc(-c3c(N)sc(C)c3C)[nH]c2cc1C.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
The InChIKey is DKWNADJUXSXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-7-5-11-12(6-8(7)2)18-15(17-11)13-9(3)10(4)19-14(13)16/h5-6H,16H2,1-4H3,(H,17,18).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 62336559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).