1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine

C22H20FN3O — CID 16661482

IUPAC1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1cc(F)ccc1-c1cccc(-n2cnc3cc(C(C)N)ccc32)c1
InChIInChI=1S/C22H20FN3O/c1-14(24)15-6-9-21-20(11-15)25-13-26(21)18-5-3-4-16(10-18)19-8-7-17(23)12-22(19)27-2/h3-14H,24H2,1-2H3
InChIKeyROUPFXQEQBKISE-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.86
Rot. Bonds4

About 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine

1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (PubChem CID 16661482) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
PubChem CID16661482
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1cc(F)ccc1-c1cccc(-n2cnc3cc(C(C)N)ccc32)c1
InChIInChI=1S/C22H20FN3O/c1-14(24)15-6-9-21-20(11-15)25-13-26(21)18-5-3-4-16(10-18)19-8-7-17(23)12-22(19)27-2/h3-14H,24H2,1-2H3
InChIKeyROUPFXQEQBKISE-UHFFFAOYSA-N
XLogP4.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096152
(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096003
(1S)-1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096101
1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16659568
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
(1R)-1-[1-[3-(3-chloro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095940
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 24768673
N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
CID 67096012
(1R)-1-[1-[3-(3-chloro-2,6-difluorophenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095912

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The IUPAC name of 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (CID 16661482) is 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is COc1cc(F)ccc1-c1cccc(-n2cnc3cc(C(C)N)ccc32)c1.
What is the InChIKey of 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The InChIKey is ROUPFXQEQBKISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-14(24)15-6-9-21-20(11-15)25-13-26(21)18-5-3-4-16(10-18)19-8-7-17(23)12-22(19)27-2/h3-14H,24H2,1-2H3.
What are the key properties of 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine has a molecular weight of 361.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 16661482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).