3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol

C13H13N3OS — CID 116965587

IUPAC3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C13H13N3OS/c17-5-1-2-13-16-12(7-18-13)9-3-4-10-11(6-9)15-8-14-10/h3-4,6-8,17H,1-2,5H2,(H,14,15)
InChIKeyGRNAGYJWBSMLTI-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.61
Rot. Bonds4

About 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol

3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 116965587) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID116965587
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C13H13N3OS/c17-5-1-2-13-16-12(7-18-13)9-3-4-10-11(6-9)15-8-14-10/h3-4,6-8,17H,1-2,5H2,(H,14,15)
InChIKeyGRNAGYJWBSMLTI-UHFFFAOYSA-N
XLogP2.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol (CID 116965587) is 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol is OCCCc1nc(-c2ccc3nc[nH]c3c2)cs1.
What is the InChIKey of 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is GRNAGYJWBSMLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-5-1-2-13-16-12(7-18-13)9-3-4-10-11(6-9)15-8-14-10/h3-4,6-8,17H,1-2,5H2,(H,14,15).
What are the key properties of 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol?
3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 259.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 116965587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).