[2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone

C22H25N3O5 — CID 3236300

IUPAC[2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-14-23-17-11-15(22(26)24-7-9-30-10-8-24)5-6-18(17)25(14)16-12-19(27-2)21(29-4)20(13-16)28-3/h5-6,11-13H,7-10H2,1-4H3
InChIKeyHBALOEWXHYLEGB-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.83
Rot. Bonds5

About [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone

[2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3236300) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3236300
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-14-23-17-11-15(22(26)24-7-9-30-10-8-24)5-6-18(17)25(14)16-12-19(27-2)21(29-4)20(13-16)28-3/h5-6,11-13H,7-10H2,1-4H3
InChIKeyHBALOEWXHYLEGB-UHFFFAOYSA-N
XLogP2.83
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone (CID 3236300) is [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone is COc1cc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc(OC)c1OC.
What is the InChIKey of [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is HBALOEWXHYLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14-23-17-11-15(22(26)24-7-9-30-10-8-24)5-6-18(17)25(14)16-12-19(27-2)21(29-4)20(13-16)28-3/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone?
[2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 411.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3236300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).