[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone

C20H21N3O3 — CID 136517505

IUPAC[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCOc1cccc(C2CN(C(=O)c3ccc4c(c3)ncn4C)CCO2)c1
InChIInChI=1S/C20H21N3O3/c1-22-13-21-17-11-15(6-7-18(17)22)20(24)23-8-9-26-19(12-23)14-4-3-5-16(10-14)25-2/h3-7,10-11,13,19H,8-9,12H2,1-2H3
InChIKeyWMCQWZJIFPETIM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.80
Rot. Bonds3

About [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone

[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 136517505) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
PubChem CID136517505
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCOc1cccc(C2CN(C(=O)c3ccc4c(c3)ncn4C)CCO2)c1
InChIInChI=1S/C20H21N3O3/c1-22-13-21-17-11-15(6-7-18(17)22)20(24)23-8-9-26-19(12-23)14-4-3-5-16(10-14)25-2/h3-7,10-11,13,19H,8-9,12H2,1-2H3
InChIKeyWMCQWZJIFPETIM-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
(2-amino-4-pyridinyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555521
(5-chlorothiophen-2-yl)-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]methanone
CID 124573395
(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95550019
1-[2-(3-methoxyphenyl)morpholin-4-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136547163
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 56874345
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
[3-(hydroxymethyl)phenyl]-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95468929
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone (CID 136517505) is [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone is COc1cccc(C2CN(C(=O)c3ccc4c(c3)ncn4C)CCO2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is WMCQWZJIFPETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-22-13-21-17-11-15(6-7-18(17)22)20(24)23-8-9-26-19(12-23)14-4-3-5-16(10-14)25-2/h3-7,10-11,13,19H,8-9,12H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 136517505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).