[5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine

C17H18FN3O — CID 82332068

IUPAC[5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine
SMILESCc1ccc(OCCn2c(CN)nc3cc(F)ccc32)cc1
InChIInChI=1S/C17H18FN3O/c1-12-2-5-14(6-3-12)22-9-8-21-16-7-4-13(18)10-15(16)20-17(21)11-19/h2-7,10H,8-9,11,19H2,1H3
InChIKeyAEUAZGVEUSZFLS-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.02
Rot. Bonds5

About [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine

[5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine (PubChem CID 82332068) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine
PubChem CID82332068
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine
SMILESCc1ccc(OCCn2c(CN)nc3cc(F)ccc32)cc1
InChIInChI=1S/C17H18FN3O/c1-12-2-5-14(6-3-12)22-9-8-21-16-7-4-13(18)10-15(16)20-17(21)11-19/h2-7,10H,8-9,11,19H2,1H3
InChIKeyAEUAZGVEUSZFLS-UHFFFAOYSA-N
XLogP3.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one
CID 159750900
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine?
The IUPAC name of [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine (CID 82332068) is [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine is Cc1ccc(OCCn2c(CN)nc3cc(F)ccc32)cc1.
What is the InChIKey of [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine?
The InChIKey is AEUAZGVEUSZFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-12-2-5-14(6-3-12)22-9-8-21-16-7-4-13(18)10-15(16)20-17(21)11-19/h2-7,10H,8-9,11,19H2,1H3.
What are the key properties of [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine?
[5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine has a molecular weight of 299.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82332068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).