(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine

C16H16FN3 — CID 54757557

IUPAC(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESC[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-11(18)16-19-14-7-2-3-8-15(14)20(16)10-12-5-4-6-13(17)9-12/h2-9,11H,10,18H2,1H3/t11-/m0/s1
InChIKeyJOUGWVNMDMWUJS-NSHDSACASA-N
MW269.32 g/mol
LogP3.24
Rot. Bonds3

About (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine

(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine (PubChem CID 54757557) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
PubChem CID54757557
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESC[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C16H16FN3/c1-11(18)16-19-14-7-2-3-8-15(14)20(16)10-12-5-4-6-13(17)9-12/h2-9,11H,10,18H2,1H3/t11-/m0/s1
InChIKeyJOUGWVNMDMWUJS-NSHDSACASA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 42904099
(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 54757558
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
2-(1-chloroethyl)-5-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 60902916
(1S)-1-[5,6-dichloro-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]butan-1-amine
CID 54757553
1-[(3-fluorophenyl)methyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 139189657
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine (CID 54757557) is (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine is C[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1.
What is the InChIKey of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The InChIKey is JOUGWVNMDMWUJS-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3/c1-11(18)16-19-14-7-2-3-8-15(14)20(16)10-12-5-4-6-13(17)9-12/h2-9,11H,10,18H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine has a molecular weight of 269.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 54757557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).