2-(1H-indazol-3-yl)-1H-benzimidazole

C14H10N4 — CID 135464491

IUPAC2-(1H-indazol-3-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1
InChIInChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
InChIKeyJTKFRFMSUBOCIQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.11
Rot. Bonds1

About 2-(1H-indazol-3-yl)-1H-benzimidazole

2-(1H-indazol-3-yl)-1H-benzimidazole (PubChem CID 135464491) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-1H-benzimidazole
PubChem CID135464491
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-(1H-indazol-3-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1
InChIInChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
InChIKeyJTKFRFMSUBOCIQ-UHFFFAOYSA-N
XLogP3.11
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(1H-indazol-3-yl)-1H-benzimidazole (CID 135464491) is 2-(1H-indazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1H-indazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1H-indazol-3-yl)-1H-benzimidazole is c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1.
What is the InChIKey of 2-(1H-indazol-3-yl)-1H-benzimidazole?
The InChIKey is JTKFRFMSUBOCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 2-(1H-indazol-3-yl)-1H-benzimidazole?
2-(1H-indazol-3-yl)-1H-benzimidazole has a molecular weight of 234.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 135464491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).