(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine

C23H23N3O2 — CID 67096152

IUPAC(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1cccc(-c2cccc(-n3cnc4cc([C@@H](C)N)ccc43)c2)c1OC
InChIInChI=1S/C23H23N3O2/c1-15(24)16-10-11-21-20(13-16)25-14-26(21)18-7-4-6-17(12-18)19-8-5-9-22(27-2)23(19)28-3/h4-15H,24H2,1-3H3/t15-/m1/s1
InChIKeyYOSFSEAGAQAXBO-OAHLLOKOSA-N
MW373.46 g/mol
LogP4.73
Rot. Bonds5

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

(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (PubChem CID 67096152) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
PubChem CID67096152
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1cccc(-c2cccc(-n3cnc4cc([C@@H](C)N)ccc43)c2)c1OC
InChIInChI=1S/C23H23N3O2/c1-15(24)16-10-11-21-20(13-16)25-14-26(21)18-7-4-6-17(12-18)19-8-5-9-22(27-2)23(19)28-3/h4-15H,24H2,1-3H3/t15-/m1/s1
InChIKeyYOSFSEAGAQAXBO-OAHLLOKOSA-N
XLogP4.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 24768673
(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-(3-chloro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095940
1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16661482
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
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096003
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67487705
N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
CID 67096012

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (CID 67096152) is (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is COc1cccc(-c2cccc(-n3cnc4cc([C@@H](C)N)ccc43)c2)c1OC.
What is the InChIKey of (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The InChIKey is YOSFSEAGAQAXBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(24)16-10-11-21-20(13-16)25-14-26(21)18-7-4-6-17(12-18)19-8-5-9-22(27-2)23(19)28-3/h4-15H,24H2,1-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine has a molecular weight of 373.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 67096152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).