2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole

C25H19FN2O — CID 507380

IUPAC2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2Cc1cccc2ccccc12
InChIInChI=1S/C25H19FN2O/c1-29-23-15-7-14-22-24(23)27-25(20-12-4-5-13-21(20)26)28(22)16-18-10-6-9-17-8-2-3-11-19(17)18/h2-15H,16H2,1H3
InChIKeyPRXLLKNVEVFLAY-UHFFFAOYSA-N
MW382.44 g/mol
LogP6.05
Rot. Bonds4

About 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole

2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole (PubChem CID 507380) has the molecular formula C25H19FN2O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
PubChem CID507380
Molecular FormulaC25H19FN2O
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2Cc1cccc2ccccc12
InChIInChI=1S/C25H19FN2O/c1-29-23-15-7-14-22-24(23)27-25(20-12-4-5-13-21(20)26)28(22)16-18-10-6-9-17-8-2-3-11-19(17)18/h2-15H,16H2,1H3
InChIKeyPRXLLKNVEVFLAY-UHFFFAOYSA-N
XLogP6.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole?
The IUPAC name of 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole (CID 507380) is 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole?
The canonical SMILES for 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole is COc1cccc2c1nc(-c1ccccc1F)n2Cc1cccc2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole?
The InChIKey is PRXLLKNVEVFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O/c1-29-23-15-7-14-22-24(23)27-25(20-12-4-5-13-21(20)26)28(22)16-18-10-6-9-17-8-2-3-11-19(17)18/h2-15H,16H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole?
2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole has a molecular weight of 382.44 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole is sourced from PubChem (CID 507380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).