methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate

C14H17N3O3 — CID 66492644

IUPACmethyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N2CCOCC2)nc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-19-13(18)10-17-12-5-3-2-4-11(12)15-14(17)16-6-8-20-9-7-16/h2-5H,6-10H2,1H3
InChIKeyHGUWBPNQTHORMX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.05
Rot. Bonds3

About methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate

methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate (PubChem CID 66492644) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate
PubChem CID66492644
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1c(N2CCOCC2)nc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-19-13(18)10-17-12-5-3-2-4-11(12)15-14(17)16-6-8-20-9-7-16/h2-5H,6-10H2,1H3
InChIKeyHGUWBPNQTHORMX-UHFFFAOYSA-N
XLogP1.05
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-morpholin-4-ylbenzimidazol-1-yl)acetic acid
CID 46784645
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125
4-(1-prop-2-enylbenzimidazol-2-yl)morpholine
CID 828615
4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine
CID 122190766
methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetate
CID 859540
methyl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995551
N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate (CID 66492644) is methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate is COC(=O)Cn1c(N2CCOCC2)nc2ccccc21.
What is the InChIKey of methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate?
The InChIKey is HGUWBPNQTHORMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-13(18)10-17-12-5-3-2-4-11(12)15-14(17)16-6-8-20-9-7-16/h2-5H,6-10H2,1H3.
What are the key properties of methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate?
methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate has a molecular weight of 275.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 66492644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).