4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole

C20H14N4 — CID 118173884

IUPAC4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole
SMILESc1ccc(-c2nc3c(-c4cccc5cn[nH]c45)cccc3[nH]2)cc1
InChIInChI=1S/C20H14N4/c1-2-6-13(7-3-1)20-22-17-11-5-10-16(19(17)23-20)15-9-4-8-14-12-21-24-18(14)15/h1-12H,(H,21,24)(H,22,23)
InChIKeyJJAZEJIULBEAMK-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.77
Rot. Bonds2

About 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole

4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole (PubChem CID 118173884) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole
PubChem CID118173884
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole
SMILESc1ccc(-c2nc3c(-c4cccc5cn[nH]c45)cccc3[nH]2)cc1
InChIInChI=1S/C20H14N4/c1-2-6-13(7-3-1)20-22-17-11-5-10-16(19(17)23-20)15-9-4-8-14-12-21-24-18(14)15/h1-12H,(H,21,24)(H,22,23)
InChIKeyJJAZEJIULBEAMK-UHFFFAOYSA-N
XLogP4.77
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole?
The IUPAC name of 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole (CID 118173884) is 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole?
The canonical SMILES for 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole is c1ccc(-c2nc3c(-c4cccc5cn[nH]c45)cccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole?
The InChIKey is JJAZEJIULBEAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-2-6-13(7-3-1)20-22-17-11-5-10-16(19(17)23-20)15-9-4-8-14-12-21-24-18(14)15/h1-12H,(H,21,24)(H,22,23).
What are the key properties of 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole?
4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole has a molecular weight of 310.36 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-7-yl)-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 118173884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).