(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine

C22H19F2N3O — CID 67096003

IUPAC(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1ccc(F)c(F)c1-c1cccc(-n2cnc3cc([C@@H](C)N)ccc32)c1
InChIInChI=1S/C22H19F2N3O/c1-13(25)14-6-8-19-18(11-14)26-12-27(19)16-5-3-4-15(10-16)21-20(28-2)9-7-17(23)22(21)24/h3-13H,25H2,1-2H3/t13-/m1/s1
InChIKeyTUYYWNHWWSDRIQ-CYBMUJFWSA-N
MW379.41 g/mol
LogP5.00
Rot. Bonds4

About (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine

(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (PubChem CID 67096003) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
PubChem CID67096003
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1ccc(F)c(F)c1-c1cccc(-n2cnc3cc([C@@H](C)N)ccc32)c1
InChIInChI=1S/C22H19F2N3O/c1-13(25)14-6-8-19-18(11-14)26-12-27(19)16-5-3-4-15(10-16)21-20(28-2)9-7-17(23)22(21)24/h3-13H,25H2,1-2H3/t13-/m1/s1
InChIKeyTUYYWNHWWSDRIQ-CYBMUJFWSA-N
XLogP5.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-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-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16659568
(1S)-1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096101
1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16661482
(1R)-1-[1-[3-(3-chloro-2,6-difluorophenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095912
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096152
(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
(1R)-1-[1-[3-(3-chloro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095940
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
3-[5-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]-2-fluorophenyl]benzonitrile
CID 46207970
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 24768673

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (CID 67096003) is (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is COc1ccc(F)c(F)c1-c1cccc(-n2cnc3cc([C@@H](C)N)ccc32)c1.
What is the InChIKey of (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The InChIKey is TUYYWNHWWSDRIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-13(25)14-6-8-19-18(11-14)26-12-27(19)16-5-3-4-15(10-16)21-20(28-2)9-7-17(23)22(21)24/h3-13H,25H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine has a molecular weight of 379.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 67096003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).