1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea

C13H13N5OS — CID 893490

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1nc2cc(NC(=O)Nc3nccs3)ccc2n1C
InChIInChI=1S/C13H13N5OS/c1-8-15-10-7-9(3-4-11(10)18(8)2)16-12(19)17-13-14-5-6-20-13/h3-7H,1-2H3,(H2,14,16,17,19)
InChIKeyBRGNOTGHACBGHM-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.98
Rot. Bonds2

About 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea

1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 893490) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea
PubChem CID893490
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1nc2cc(NC(=O)Nc3nccs3)ccc2n1C
InChIInChI=1S/C13H13N5OS/c1-8-15-10-7-9(3-4-11(10)18(8)2)16-12(19)17-13-14-5-6-20-13/h3-7H,1-2H3,(H2,14,16,17,19)
InChIKeyBRGNOTGHACBGHM-UHFFFAOYSA-N
XLogP2.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea (CID 893490) is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea is Cc1nc2cc(NC(=O)Nc3nccs3)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is BRGNOTGHACBGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-8-15-10-7-9(3-4-11(10)18(8)2)16-12(19)17-13-14-5-6-20-13/h3-7H,1-2H3,(H2,14,16,17,19).
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea?
1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 287.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 893490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).