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

C17H18FN3 — CID 82333492

IUPAC[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESCCc1ccc2c(c1)nc(CN)n2Cc1ccccc1F
InChIInChI=1S/C17H18FN3/c1-2-12-7-8-16-15(9-12)20-17(10-19)21(16)11-13-5-3-4-6-14(13)18/h3-9H,2,10-11,19H2,1H3
InChIKeyJEJHZXUGEYZAQW-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.24
Rot. Bonds4

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

[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine (PubChem CID 82333492) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
PubChem CID82333492
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESCCc1ccc2c(c1)nc(CN)n2Cc1ccccc1F
InChIInChI=1S/C17H18FN3/c1-2-12-7-8-16-15(9-12)20-17(10-19)21(16)11-13-5-3-4-6-14(13)18/h3-9H,2,10-11,19H2,1H3
InChIKeyJEJHZXUGEYZAQW-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The IUPAC name of [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine (CID 82333492) is [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine is CCc1ccc2c(c1)nc(CN)n2Cc1ccccc1F.
What is the InChIKey of [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The InChIKey is JEJHZXUGEYZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-2-12-7-8-16-15(9-12)20-17(10-19)21(16)11-13-5-3-4-6-14(13)18/h3-9H,2,10-11,19H2,1H3.
What are the key properties of [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine has a molecular weight of 283.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82333492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).