2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole

C23H18FN5O — CID 44563047

IUPAC2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole
SMILESCOc1ccc(-n2cc(Cn3c(-c4cccc(F)c4)nc4ccccc43)nn2)cc1
InChIInChI=1S/C23H18FN5O/c1-30-20-11-9-19(10-12-20)29-15-18(26-27-29)14-28-22-8-3-2-7-21(22)25-23(28)16-5-4-6-17(24)13-16/h2-13,15H,14H2,1H3
InChIKeyUAEDQPBGVVQSQJ-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.48
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole

2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole (PubChem CID 44563047) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole
PubChem CID44563047
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole
SMILESCOc1ccc(-n2cc(Cn3c(-c4cccc(F)c4)nc4ccccc43)nn2)cc1
InChIInChI=1S/C23H18FN5O/c1-30-20-11-9-19(10-12-20)29-15-18(26-27-29)14-28-22-8-3-2-7-21(22)25-23(28)16-5-4-6-17(24)13-16/h2-13,15H,14H2,1H3
InChIKeyUAEDQPBGVVQSQJ-UHFFFAOYSA-N
XLogP4.48
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole?
The IUPAC name of 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole (CID 44563047) is 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole?
The canonical SMILES for 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole is COc1ccc(-n2cc(Cn3c(-c4cccc(F)c4)nc4ccccc43)nn2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole?
The InChIKey is UAEDQPBGVVQSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-30-20-11-9-19(10-12-20)29-15-18(26-27-29)14-28-22-8-3-2-7-21(22)25-23(28)16-5-4-6-17(24)13-16/h2-13,15H,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole?
2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole has a molecular weight of 399.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]benzimidazole is sourced from PubChem (CID 44563047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).