ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one

C16H25N3O2 — CID 143665895

IUPACethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
SMILESCC.Cn1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C14H19N3O2.C2H6/c1-15-12-4-2-3-5-13(12)17(14(15)18)7-6-16-8-10-19-11-9-16;1-2/h2-5H,6-11H2,1H3;1-2H3
InChIKeyIQAFOXZZSYQTJT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.70
Rot. Bonds3

About ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one

ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one (PubChem CID 143665895) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one.

Molecular Properties

Compound Nameethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
PubChem CID143665895
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
SMILESCC.Cn1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C14H19N3O2.C2H6/c1-15-12-4-2-3-5-13(12)17(14(15)18)7-6-16-8-10-19-11-9-16;1-2/h2-5H,6-11H2,1H3;1-2H3
InChIKeyIQAFOXZZSYQTJT-UHFFFAOYSA-N
XLogP1.70
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 21273406
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide
CID 66785202
N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66784008
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylbenzimidazol-2-one
CID 66474341
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The IUPAC name of ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one (CID 143665895) is ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one.
What is the SMILES notation for ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The canonical SMILES for ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one is CC.Cn1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The InChIKey is IQAFOXZZSYQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.C2H6/c1-15-12-4-2-3-5-13(12)17(14(15)18)7-6-16-8-10-19-11-9-16;1-2/h2-5H,6-11H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one is sourced from PubChem (CID 143665895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).