5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen

C13H13N5 — CID 145194821

IUPAC5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
SMILES[H][H].[H][H].c1ccc2[nH]c(-c3ccc4n[nH]nc4c3)nc2c1
InChIInChI=1S/C13H9N5.2H2/c1-2-4-10-9(3-1)14-13(15-10)8-5-6-11-12(7-8)17-18-16-11;;/h1-7H,(H,14,15)(H,16,17,18);2*1H
InChIKeyYDJHKYGTHKEEJE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.99
Rot. Bonds1

About 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen

5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen (PubChem CID 145194821) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
PubChem CID145194821
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
SMILES[H][H].[H][H].c1ccc2[nH]c(-c3ccc4n[nH]nc4c3)nc2c1
InChIInChI=1S/C13H9N5.2H2/c1-2-4-10-9(3-1)14-13(15-10)8-5-6-11-12(7-8)17-18-16-11;;/h1-7H,(H,14,15)(H,16,17,18);2*1H
InChIKeyYDJHKYGTHKEEJE-UHFFFAOYSA-N
XLogP2.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole
CID 155051482
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
6-(1H-benzimidazol-2-yl)-3-iodo-2H-indazole
CID 168555470
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
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-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152
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

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen (CID 145194821) is 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen is [H][H].[H][H].c1ccc2[nH]c(-c3ccc4n[nH]nc4c3)nc2c1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen?
The InChIKey is YDJHKYGTHKEEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5.2H2/c1-2-4-10-9(3-1)14-13(15-10)8-5-6-11-12(7-8)17-18-16-11;;/h1-7H,(H,14,15)(H,16,17,18);2*1H.
What are the key properties of 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen?
5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen has a molecular weight of 239.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen is sourced from PubChem (CID 145194821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).