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

C16H21N3O3 — CID 136555325

IUPAC[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCCOCC1CN(C(=O)c2ccc3c(c2)ncn3C)CCO1
InChIInChI=1S/C16H21N3O3/c1-3-21-10-13-9-19(6-7-22-13)16(20)12-4-5-15-14(8-12)17-11-18(15)2/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKeyCPHNCXRWXHXNAK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.45
Rot. Bonds4

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

[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 136555325) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
PubChem CID136555325
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCCOCC1CN(C(=O)c2ccc3c(c2)ncn3C)CCO1
InChIInChI=1S/C16H21N3O3/c1-3-21-10-13-9-19(6-7-22-13)16(20)12-4-5-15-14(8-12)17-11-18(15)2/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKeyCPHNCXRWXHXNAK-UHFFFAOYSA-N
XLogP1.45
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyphenyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136517505
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
(2R)-4-(1-ethylbenzimidazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124953688
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 70720608
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136545306
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 155505099
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone
CID 134274078
[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone
CID 124737173

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone (CID 136555325) is [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone is CCOCC1CN(C(=O)c2ccc3c(c2)ncn3C)CCO1.
What is the InChIKey of [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is CPHNCXRWXHXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-21-10-13-9-19(6-7-22-13)16(20)12-4-5-15-14(8-12)17-11-18(15)2/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3.
What are the key properties of [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone?
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 303.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 136555325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).