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

C18H15Cl2N5O — CID 178074121

IUPAC2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol
SMILESCC(CO)c1ccc2nc(-c3nncn3-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C18H15Cl2N5O/c1-10(8-26)11-5-6-13-14(7-11)23-17(22-13)18-24-21-9-25(18)15-4-2-3-12(19)16(15)20/h2-7,9-10,26H,8H2,1H3,(H,22,23)
InChIKeyUFVJGIFXBBWMNO-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.21
Rot. Bonds4

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

2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol (PubChem CID 178074121) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol
PubChem CID178074121
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC Name2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol
SMILESCC(CO)c1ccc2nc(-c3nncn3-c3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C18H15Cl2N5O/c1-10(8-26)11-5-6-13-14(7-11)23-17(22-13)18-24-21-9-25(18)15-4-2-3-12(19)16(15)20/h2-7,9-10,26H,8H2,1H3,(H,22,23)
InChIKeyUFVJGIFXBBWMNO-UHFFFAOYSA-N
XLogP4.21
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol (CID 178074121) is 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol is CC(CO)c1ccc2nc(-c3nncn3-c3cccc(Cl)c3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol?
The InChIKey is UFVJGIFXBBWMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-10(8-26)11-5-6-13-14(7-11)23-17(22-13)18-24-21-9-25(18)15-4-2-3-12(19)16(15)20/h2-7,9-10,26H,8H2,1H3,(H,22,23).
What are the key properties of 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol?
2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol has a molecular weight of 388.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-3H-benzimidazol-5-yl]propan-1-ol is sourced from PubChem (CID 178074121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).