7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine

C21H18N6S — CID 52918390

IUPAC7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3cccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C21H18N6S/c1-11-8-16-17(9-12(11)2)27(20(24-16)18-4-3-7-28-18)13-5-6-14-15(10-13)25-21(23)26-19(14)22/h3-10H,1-2H3,(H4,22,23,25,26)
InChIKeySVQAULWAXASJJB-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.48
Rot. Bonds2

About 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine

7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (PubChem CID 52918390) has the molecular formula C21H18N6S and a molecular weight of 386.48 g/mol. Its IUPAC name is 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
PubChem CID52918390
Molecular FormulaC21H18N6S
Molecular Weight386.48 g/mol
Exact Mass386.13
IUPAC Name7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3cccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C21H18N6S/c1-11-8-16-17(9-12(11)2)27(20(24-16)18-4-3-7-28-18)13-5-6-14-15(10-13)25-21(23)26-19(14)22/h3-10H,1-2H3,(H4,22,23,25,26)
InChIKeySVQAULWAXASJJB-UHFFFAOYSA-N
XLogP4.48
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (CID 52918390) is 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is Cc1cc2nc(-c3cccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C.
What is the InChIKey of 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The InChIKey is SVQAULWAXASJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6S/c1-11-8-16-17(9-12(11)2)27(20(24-16)18-4-3-7-28-18)13-5-6-14-15(10-13)25-21(23)26-19(14)22/h3-10H,1-2H3,(H4,22,23,25,26).
What are the key properties of 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine has a molecular weight of 386.48 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 52918390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).