1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide

C22H21BrFN3 — CID 15945565

IUPAC1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C22H20FN3.BrH/c23-19-11-5-4-10-18(19)16-26-21-13-7-6-12-20(21)25(22(26)24)15-14-17-8-2-1-3-9-17;/h1-13,24H,14-16H2;1H/b24-22+;
InChIKeyMSBODPOHXRPGFL-HDPAMLMOSA-N
MW426.33 g/mol
LogP4.93
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide

1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide (PubChem CID 15945565) has the molecular formula C22H21BrFN3 and a molecular weight of 426.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
PubChem CID15945565
Molecular FormulaC22H21BrFN3
Molecular Weight426.33 g/mol
Exact Mass425.09
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C22H20FN3.BrH/c23-19-11-5-4-10-18(19)16-26-21-13-7-6-12-20(21)25(22(26)24)15-14-17-8-2-1-3-9-17;/h1-13,24H,14-16H2;1H/b24-22+;
InChIKeyMSBODPOHXRPGFL-HDPAMLMOSA-N
XLogP4.93
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide (CID 15945565) is 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CCc2ccccc2)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
The InChIKey is MSBODPOHXRPGFL-HDPAMLMOSA-N. The full InChI is InChI=1S/C22H20FN3.BrH/c23-19-11-5-4-10-18(19)16-26-21-13-7-6-12-20(21)25(22(26)24)15-14-17-8-2-1-3-9-17;/h1-13,24H,14-16H2;1H/b24-22+;.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide has a molecular weight of 426.33 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 15945565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).