1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C12H11N5OS — CID 143208150

IUPAC1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cccc3[nH]cnc23)s1
InChIInChI=1S/C12H11N5OS/c1-7-5-13-12(19-7)17-11(18)16-9-4-2-3-8-10(9)15-6-14-8/h2-6H,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeyRUKIIOSARRFHPO-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.97
Rot. Bonds2

About 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea

1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 143208150) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID143208150
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cccc3[nH]cnc23)s1
InChIInChI=1S/C12H11N5OS/c1-7-5-13-12(19-7)17-11(18)16-9-4-2-3-8-10(9)15-6-14-8/h2-6H,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeyRUKIIOSARRFHPO-UHFFFAOYSA-N
XLogP2.97
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 143208150) is 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)Nc2cccc3[nH]cnc23)s1.
What is the InChIKey of 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is RUKIIOSARRFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7-5-13-12(19-7)17-11(18)16-9-4-2-3-8-10(9)15-6-14-8/h2-6H,1H3,(H,14,15)(H2,13,16,17,18).
What are the key properties of 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 273.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 143208150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).