[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone

C14H17N3O2 — CID 136545306

IUPAC[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCOCC1CCN1C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H17N3O2/c1-16-9-15-12-7-10(3-4-13(12)16)14(18)17-6-5-11(17)8-19-2/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyCVALYKCTTWMYGA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.43
Rot. Bonds3

About [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone

[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 136545306) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
PubChem CID136545306
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCOCC1CCN1C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H17N3O2/c1-16-9-15-12-7-10(3-4-13(12)16)14(18)17-6-5-11(17)8-19-2/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyCVALYKCTTWMYGA-UHFFFAOYSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-(1-methylbenzimidazole-5-carbonyl)piperidin-2-yl]propanoic acid
CID 164641999
(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 126768552
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
CID 92611389
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
CID 141275744
[2-(ethoxymethyl)morpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 136555325

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone (CID 136545306) is [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone is COCC1CCN1C(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is CVALYKCTTWMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-9-15-12-7-10(3-4-13(12)16)14(18)17-6-5-11(17)8-19-2/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone?
[2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)azetidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 136545306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).