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

C23H23N3O2 — CID 67487705

IUPAC1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1cccc(-c2cccc(-n3cnc4cc(C(C)N)ccc43)c2OC)c1
InChIInChI=1S/C23H23N3O2/c1-15(24)16-10-11-21-20(13-16)25-14-26(21)22-9-5-8-19(23(22)28-3)17-6-4-7-18(12-17)27-2/h4-15H,24H2,1-3H3
InChIKeyNSUXRVMPQZPGCS-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.73
Rot. Bonds5

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

1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (PubChem CID 67487705) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
PubChem CID67487705
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
SMILESCOc1cccc(-c2cccc(-n3cnc4cc(C(C)N)ccc43)c2OC)c1
InChIInChI=1S/C23H23N3O2/c1-15(24)16-10-11-21-20(13-16)25-14-26(21)22-9-5-8-19(23(22)28-3)17-6-4-7-18(12-17)27-2/h4-15H,24H2,1-3H3
InChIKeyNSUXRVMPQZPGCS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The IUPAC name of 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine (CID 67487705) is 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is COc1cccc(-c2cccc(-n3cnc4cc(C(C)N)ccc43)c2OC)c1.
What is the InChIKey of 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
The InChIKey is NSUXRVMPQZPGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(24)16-10-11-21-20(13-16)25-14-26(21)22-9-5-8-19(23(22)28-3)17-6-4-7-18(12-17)27-2/h4-15H,24H2,1-3H3.
What are the key properties of 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine?
1-[1-[2-methoxy-3-(3-methoxyphenyl)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 1-[1-[2-methoxy-3-(3-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 67487705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).