[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine

C17H18FN3O — CID 82334694

IUPAC[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESCCOc1ccc2c(c1)nc(CN)n2Cc1ccccc1F
InChIInChI=1S/C17H18FN3O/c1-2-22-13-7-8-16-15(9-13)20-17(10-19)21(16)11-12-5-3-4-6-14(12)18/h3-9H,2,10-11,19H2,1H3
InChIKeyYJRDVJLPQVGTMX-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.08
Rot. Bonds5

About [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine

[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine (PubChem CID 82334694) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
PubChem CID82334694
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESCCOc1ccc2c(c1)nc(CN)n2Cc1ccccc1F
InChIInChI=1S/C17H18FN3O/c1-2-22-13-7-8-16-15(9-13)20-17(10-19)21(16)11-12-5-3-4-6-14(12)18/h3-9H,2,10-11,19H2,1H3
InChIKeyYJRDVJLPQVGTMX-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82333492
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333467
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
(1-benzyl-5-ethoxybenzimidazol-2-yl)methanethiol
CID 82334952
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
[1-[(2-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333263
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
CID 134127066
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
2-[(4-tert-butylphenoxy)methyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 16998729

Frequently Asked Questions

What is the IUPAC name of [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The IUPAC name of [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine (CID 82334694) is [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine is CCOc1ccc2c(c1)nc(CN)n2Cc1ccccc1F.
What is the InChIKey of [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The InChIKey is YJRDVJLPQVGTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-2-22-13-7-8-16-15(9-13)20-17(10-19)21(16)11-12-5-3-4-6-14(12)18/h3-9H,2,10-11,19H2,1H3.
What are the key properties of [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine has a molecular weight of 299.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82334694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).