7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine

C20H17N7O2S — CID 56595785

IUPAC7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCOc1cc2nc(-c3nccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1OC
InChIInChI=1S/C20H17N7O2S/c1-28-15-8-13-14(9-16(15)29-2)27(18(24-13)19-23-5-6-30-19)10-3-4-11-12(7-10)25-20(22)26-17(11)21/h3-9H,1-2H3,(H4,21,22,25,26)
InChIKeyWHHHBZDVDZWFFO-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.27
Rot. Bonds4

About 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine

7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine (PubChem CID 56595785) has the molecular formula C20H17N7O2S and a molecular weight of 419.47 g/mol. Its IUPAC name is 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
PubChem CID56595785
Molecular FormulaC20H17N7O2S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC Name7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCOc1cc2nc(-c3nccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1OC
InChIInChI=1S/C20H17N7O2S/c1-28-15-8-13-14(9-16(15)29-2)27(18(24-13)19-23-5-6-30-19)10-3-4-11-12(7-10)25-20(22)26-17(11)21/h3-9H,1-2H3,(H4,21,22,25,26)
InChIKeyWHHHBZDVDZWFFO-UHFFFAOYSA-N
XLogP3.27
TPSA126.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The IUPAC name of 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine (CID 56595785) is 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The canonical SMILES for 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine is COc1cc2nc(-c3nccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1OC.
What is the InChIKey of 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The InChIKey is WHHHBZDVDZWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2S/c1-28-15-8-13-14(9-16(15)29-2)27(18(24-13)19-23-5-6-30-19)10-3-4-11-12(7-10)25-20(22)26-17(11)21/h3-9H,1-2H3,(H4,21,22,25,26).
What are the key properties of 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine has a molecular weight of 419.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 56595785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).