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

C20H16ClN7S — CID 46898103

IUPAC6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C
InChIInChI=1S/C20H16ClN7S/c1-9-5-14-16(6-10(9)2)28(18(25-14)19-24-3-4-29-19)15-8-13-11(7-12(15)21)17(22)27-20(23)26-13/h3-8H,1-2H3,(H4,22,23,26,27)
InChIKeyWSVACSSBUCFLCD-UHFFFAOYSA-N
MW421.92 g/mol
LogP4.53
Rot. Bonds2

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

6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine (PubChem CID 46898103) has the molecular formula C20H16ClN7S and a molecular weight of 421.92 g/mol. Its IUPAC name is 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
PubChem CID46898103
Molecular FormulaC20H16ClN7S
Molecular Weight421.92 g/mol
Exact Mass421.09
IUPAC Name6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C
InChIInChI=1S/C20H16ClN7S/c1-9-5-14-16(6-10(9)2)28(18(25-14)19-24-3-4-29-19)15-8-13-11(7-12(15)21)17(22)27-20(23)26-13/h3-8H,1-2H3,(H4,22,23,26,27)
InChIKeyWSVACSSBUCFLCD-UHFFFAOYSA-N
XLogP4.53
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46871716
7-[5,6-Dimethyl-2-(1,3-Thiazol-4-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 72771095
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
6-Chloro-7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 76325652
6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
CID 25179297
US9650358, Example 229
CID 90413143
US10202370, Example 119
CID 117795520
US10214519, Example 238
CID 134371930
US10214519, Example 240
CID 134371933
US10214519, Example 243
CID 134371936
US10214519, Example 247
CID 134372017
US10202370, Example 032
CID 90466378

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The IUPAC name of 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine (CID 46898103) is 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The canonical SMILES for 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine is Cc1cc2nc(-c3nccs3)n(-c3cc4nc(N)nc(N)c4cc3Cl)c2cc1C.
What is the InChIKey of 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
The InChIKey is WSVACSSBUCFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7S/c1-9-5-14-16(6-10(9)2)28(18(25-14)19-24-3-4-29-19)15-8-13-11(7-12(15)21)17(22)27-20(23)26-13/h3-8H,1-2H3,(H4,22,23,26,27).
What are the key properties of 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine?
6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine has a molecular weight of 421.92 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 46898103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).