(1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine

C16H19FN4 — CID 163678533

IUPAC(1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine
SMILESCCn1c([C@H](C)N)nc2ccc(F)c(C3=CC=CCN3)c21
InChIInChI=1S/C16H19FN4/c1-3-21-15-13(20-16(21)10(2)18)8-7-11(17)14(15)12-6-4-5-9-19-12/h4-8,10,19H,3,9,18H2,1-2H3/t10-/m0/s1
InChIKeyJIVBHYOTSFSHEW-JTQLQIEISA-N
MW286.35 g/mol
LogP2.72
Rot. Bonds3

About (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine

(1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine (PubChem CID 163678533) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine
PubChem CID163678533
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name(1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine
SMILESCCn1c([C@H](C)N)nc2ccc(F)c(C3=CC=CCN3)c21
InChIInChI=1S/C16H19FN4/c1-3-21-15-13(20-16(21)10(2)18)8-7-11(17)14(15)12-6-4-5-9-19-12/h4-8,10,19H,3,9,18H2,1-2H3/t10-/m0/s1
InChIKeyJIVBHYOTSFSHEW-JTQLQIEISA-N
XLogP2.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine
CID 77456052
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54758434
[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol
CID 77456184
cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62377258
ethyl 3-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]propanoate
CID 62535237
1-[2-(1-chloroethyl)-6,7-difluorobenzimidazol-1-yl]-N,N-dimethylpropan-2-amine
CID 62532231
1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
CID 67447528
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333524
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine (CID 163678533) is (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine is CCn1c([C@H](C)N)nc2ccc(F)c(C3=CC=CCN3)c21.
What is the InChIKey of (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine?
The InChIKey is JIVBHYOTSFSHEW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19FN4/c1-3-21-15-13(20-16(21)10(2)18)8-7-11(17)14(15)12-6-4-5-9-19-12/h4-8,10,19H,3,9,18H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine?
(1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine has a molecular weight of 286.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-(1,2-dihydropyridin-6-yl)-1-ethyl-6-fluorobenzimidazol-2-yl]ethanamine is sourced from PubChem (CID 163678533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).