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

C20H16N6S — CID 67889369

IUPAC7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1ccc2c(c1)nc(-c1cccs1)n2-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C20H16N6S/c1-11-4-7-16-15(9-11)23-19(17-3-2-8-27-17)26(16)12-5-6-13-14(10-12)24-20(22)25-18(13)21/h2-10H,1H3,(H4,21,22,24,25)
InChIKeyYXGIUKWLVPBVRP-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.17
Rot. Bonds2

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

7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (PubChem CID 67889369) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
PubChem CID67889369
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC Name7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1ccc2c(c1)nc(-c1cccs1)n2-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C20H16N6S/c1-11-4-7-16-15(9-11)23-19(17-3-2-8-27-17)26(16)12-5-6-13-14(10-12)24-20(22)25-18(13)21/h2-10H,1H3,(H4,21,22,24,25)
InChIKeyYXGIUKWLVPBVRP-UHFFFAOYSA-N
XLogP4.17
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
1-Benzyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2021006
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-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 52918390
7-(2-Cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607115
7-(5,6-Dimethyl-2-thiophen-3-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607902
7-[5,6-Dimethyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]-6-methylquinazoline-2,4-diamine
CID 67889364
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3818611
6-Chloro-7-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 76325652
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
CID 9995367
2-Methyl-6-phenyl-4-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10639971

Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (CID 67889369) is 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is Cc1ccc2c(c1)nc(-c1cccs1)n2-c1ccc2c(N)nc(N)nc2c1.
What is the InChIKey of 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The InChIKey is YXGIUKWLVPBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-11-4-7-16-15(9-11)23-19(17-3-2-8-27-17)26(16)12-5-6-13-14(10-12)24-20(22)25-18(13)21/h2-10H,1H3,(H4,21,22,24,25).
What are the key properties of 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine has a molecular weight of 372.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-2-thiophen-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 67889369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).