2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole

C24H21N5O — CID 177375971

IUPAC2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCc4cn(Cc5ccccc5)nn4)cc3)[nH]c2c1
InChIInChI=1S/C24H21N5O/c1-17-7-12-22-23(13-17)26-24(25-22)19-8-10-21(11-9-19)30-16-20-15-29(28-27-20)14-18-5-3-2-4-6-18/h2-13,15H,14,16H2,1H3,(H,25,26)
InChIKeyLUWDNPCHNCBEBP-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.76
Rot. Bonds6

About 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole

2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole (PubChem CID 177375971) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole
PubChem CID177375971
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCc4cn(Cc5ccccc5)nn4)cc3)[nH]c2c1
InChIInChI=1S/C24H21N5O/c1-17-7-12-22-23(13-17)26-24(25-22)19-8-10-21(11-9-19)30-16-20-15-29(28-27-20)14-18-5-3-2-4-6-18/h2-13,15H,14,16H2,1H3,(H,25,26)
InChIKeyLUWDNPCHNCBEBP-UHFFFAOYSA-N
XLogP4.76
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.76
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]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole (CID 177375971) is 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3ccc(OCc4cn(Cc5ccccc5)nn4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
The InChIKey is LUWDNPCHNCBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-17-7-12-22-23(13-17)26-24(25-22)19-8-10-21(11-9-19)30-16-20-15-29(28-27-20)14-18-5-3-2-4-6-18/h2-13,15H,14,16H2,1H3,(H,25,26).
What are the key properties of 2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole?
2-[4-[(1-benzyltriazol-4-yl)methoxy]phenyl]-6-methyl-1H-benzimidazole has a molecular weight of 395.47 g/mol, XLogP of 4.76, 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]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 177375971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).