1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine

C16H16FN3O — CID 77456368

IUPAC1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
SMILESCOc1cccc(-n2c(C(C)N)nc3ccc(F)cc32)c1
InChIInChI=1S/C16H16FN3O/c1-10(18)16-19-14-7-6-11(17)8-15(14)20(16)12-4-3-5-13(9-12)21-2/h3-10H,18H2,1-2H3
InChIKeyXGDQXWVAUUDBSF-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.19
Rot. Bonds3

About 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine

1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine (PubChem CID 77456368) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
PubChem CID77456368
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
SMILESCOc1cccc(-n2c(C(C)N)nc3ccc(F)cc32)c1
InChIInChI=1S/C16H16FN3O/c1-10(18)16-19-14-7-6-11(17)8-15(14)20(16)12-4-3-5-13(9-12)21-2/h3-10H,18H2,1-2H3
InChIKeyXGDQXWVAUUDBSF-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 140590519
2-(1-chloroethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43666703
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine
CID 77456172
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 90182271
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
CID 90235944
6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
CID 103593292

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine (CID 77456368) is 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine is COc1cccc(-n2c(C(C)N)nc3ccc(F)cc32)c1.
What is the InChIKey of 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine?
The InChIKey is XGDQXWVAUUDBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10(18)16-19-14-7-6-11(17)8-15(14)20(16)12-4-3-5-13(9-12)21-2/h3-10H,18H2,1-2H3.
What are the key properties of 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine?
1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine has a molecular weight of 285.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 77456368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).