2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole

C23H19N5O — CID 162644056

IUPAC2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole
SMILESc1ccc(Cn2cc(COc3ccc(-c4nc5ccccc5[nH]4)cc3)nn2)cc1
InChIInChI=1S/C23H19N5O/c1-2-6-17(7-3-1)14-28-15-19(26-27-28)16-29-20-12-10-18(11-13-20)23-24-21-8-4-5-9-22(21)25-23/h1-13,15H,14,16H2,(H,24,25)
InChIKeyWOYUUNXLXIGPRM-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.45
Rot. Bonds6

About 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole

2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole (PubChem CID 162644056) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole
PubChem CID162644056
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole
SMILESc1ccc(Cn2cc(COc3ccc(-c4nc5ccccc5[nH]4)cc3)nn2)cc1
InChIInChI=1S/C23H19N5O/c1-2-6-17(7-3-1)14-28-15-19(26-27-28)16-29-20-12-10-18(11-13-20)23-24-21-8-4-5-9-22(21)25-23/h1-13,15H,14,16H2,(H,24,25)
InChIKeyWOYUUNXLXIGPRM-UHFFFAOYSA-N
XLogP4.45
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole (CID 162644056) is 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole is c1ccc(Cn2cc(COc3ccc(-c4nc5ccccc5[nH]4)cc3)nn2)cc1.
What is the InChIKey of 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole?
The InChIKey is WOYUUNXLXIGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-2-6-17(7-3-1)14-28-15-19(26-27-28)16-29-20-12-10-18(11-13-20)23-24-21-8-4-5-9-22(21)25-23/h1-13,15H,14,16H2,(H,24,25).
What are the key properties of 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole?
2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole has a molecular weight of 381.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 162644056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).