1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine

C15H15FN4 — CID 86802845

IUPAC1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine
SMILESCCn1c(NCc2cccnc2)nc2cc(F)ccc21
InChIInChI=1S/C15H15FN4/c1-2-20-14-6-5-12(16)8-13(14)19-15(20)18-10-11-4-3-7-17-9-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyBYGPHPVXIOTVCU-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.20
Rot. Bonds4

About 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine

1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine (PubChem CID 86802845) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine
PubChem CID86802845
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine
SMILESCCn1c(NCc2cccnc2)nc2cc(F)ccc21
InChIInChI=1S/C15H15FN4/c1-2-20-14-6-5-12(16)8-13(14)19-15(20)18-10-11-4-3-7-17-9-11/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyBYGPHPVXIOTVCU-UHFFFAOYSA-N
XLogP3.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-fluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]benzimidazol-2-amine
CID 86802800
1-ethyl-5-fluoro-N-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]benzimidazol-2-amine
CID 75523505
1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine
CID 86802847
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
CID 73442424
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide
CID 75520441
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine (CID 86802845) is 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine is CCn1c(NCc2cccnc2)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is BYGPHPVXIOTVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-2-20-14-6-5-12(16)8-13(14)19-15(20)18-10-11-4-3-7-17-9-11/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine?
1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 270.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 86802845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).