[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone

C20H21N3O3 — CID 3239407

IUPAC[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14-21-18-13-15(20(24)22-9-11-26-12-10-22)3-8-19(18)23(14)16-4-6-17(25-2)7-5-16/h3-8,13H,9-12H2,1-2H3
InChIKeyLNEGEHXACOVUCK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.81
Rot. Bonds3

About [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone

[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3239407) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3239407
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14-21-18-13-15(20(24)22-9-11-26-12-10-22)3-8-19(18)23(14)16-4-6-17(25-2)7-5-16/h3-8,13H,9-12H2,1-2H3
InChIKeyLNEGEHXACOVUCK-UHFFFAOYSA-N
XLogP2.81
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone (CID 3239407) is [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone is COc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is LNEGEHXACOVUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-21-18-13-15(20(24)22-9-11-26-12-10-22)3-8-19(18)23(14)16-4-6-17(25-2)7-5-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3239407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).