6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole

C14H9IN4 — CID 168555470

IUPAC6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
SMILESIc1[nH]nc2cc(-c3nc4ccccc4[nH]3)ccc12
InChIInChI=1S/C14H9IN4/c15-13-9-6-5-8(7-12(9)18-19-13)14-16-10-3-1-2-4-11(10)17-14/h1-7H,(H,16,17)(H,18,19)
InChIKeyHNEBXAYCZNYJKE-UHFFFAOYSA-N
MW360.16 g/mol
LogP3.71
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole

6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole (PubChem CID 168555470) has the molecular formula C14H9IN4 and a molecular weight of 360.16 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
PubChem CID168555470
Molecular FormulaC14H9IN4
Molecular Weight360.16 g/mol
Exact Mass359.99
IUPAC Name6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
SMILESIc1[nH]nc2cc(-c3nc4ccccc4[nH]3)ccc12
InChIInChI=1S/C14H9IN4/c15-13-9-6-5-8(7-12(9)18-19-13)14-16-10-3-1-2-4-11(10)17-14/h1-7H,(H,16,17)(H,18,19)
InChIKeyHNEBXAYCZNYJKE-UHFFFAOYSA-N
XLogP3.71
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
CID 145194821
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555765
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1H-benzimidazole
CID 168554502
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole (CID 168555470) is 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole is Ic1[nH]nc2cc(-c3nc4ccccc4[nH]3)ccc12.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole?
The InChIKey is HNEBXAYCZNYJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN4/c15-13-9-6-5-8(7-12(9)18-19-13)14-16-10-3-1-2-4-11(10)17-14/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole?
6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole has a molecular weight of 360.16 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole is sourced from PubChem (CID 168555470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).