3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C22H15N7 — CID 11451717

IUPAC3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1cc(-c2nc3ccccc3[nH]2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H15N7/c1-2-7-19-18(6-1)25-22(26-19)14-5-3-4-13(10-14)20-16-11-15(21-23-12-24-29-21)8-9-17(16)27-28-20/h1-12H,(H,25,26)(H,27,28)(H,23,24,29)
InChIKeyUEWRRNWPOBBXDZ-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.56
Rot. Bonds3

About 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 11451717) has the molecular formula C22H15N7 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID11451717
Molecular FormulaC22H15N7
Molecular Weight377.41 g/mol
Exact Mass377.14
IUPAC Name3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1cc(-c2nc3ccccc3[nH]2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H15N7/c1-2-7-19-18(6-1)25-22(26-19)14-5-3-4-13(10-14)20-16-11-15(21-23-12-24-29-21)8-9-17(16)27-28-20/h1-12H,(H,25,26)(H,27,28)(H,23,24,29)
InChIKeyUEWRRNWPOBBXDZ-UHFFFAOYSA-N
XLogP4.56
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 11451717) is 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is c1cc(-c2nc3ccccc3[nH]2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is UEWRRNWPOBBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7/c1-2-7-19-18(6-1)25-22(26-19)14-5-3-4-13(10-14)20-16-11-15(21-23-12-24-29-21)8-9-17(16)27-28-20/h1-12H,(H,25,26)(H,27,28)(H,23,24,29).
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 377.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 11451717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).