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

C20H17N7S — CID 72771095

IUPAC7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3cscn3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C20H17N7S/c1-10-5-15-17(6-11(10)2)27(19(24-15)16-8-28-9-23-16)12-3-4-13-14(7-12)25-20(22)26-18(13)21/h3-9H,1-2H3,(H4,21,22,25,26)
InChIKeyLTVJIDPPWFXVJV-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.87
Rot. Bonds2

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

7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine (PubChem CID 72771095) has the molecular formula C20H17N7S and a molecular weight of 387.47 g/mol. Its IUPAC name is 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
PubChem CID72771095
Molecular FormulaC20H17N7S
Molecular Weight387.47 g/mol
Exact Mass387.13
IUPAC Name7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3cscn3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C20H17N7S/c1-10-5-15-17(6-11(10)2)27(19(24-15)16-8-28-9-23-16)12-3-4-13-14(7-12)25-20(22)26-18(13)21/h3-9H,1-2H3,(H4,21,22,25,26)
InChIKeyLTVJIDPPWFXVJV-UHFFFAOYSA-N
XLogP3.87
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The IUPAC name of 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine (CID 72771095) is 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The canonical SMILES for 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine is Cc1cc2nc(-c3cscn3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C.
What is the InChIKey of 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The InChIKey is LTVJIDPPWFXVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7S/c1-10-5-15-17(6-11(10)2)27(19(24-15)16-8-28-9-23-16)12-3-4-13-14(7-12)25-20(22)26-18(13)21/h3-9H,1-2H3,(H4,21,22,25,26).
What are the key properties of 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine has a molecular weight of 387.47 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 72771095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).