1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one

C16H24N4O2 — CID 6473290

IUPAC1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCCN3CCOCC3)ccc21
InChIInChI=1S/C16H24N4O2/c1-18-14-4-3-13(11-15(14)19(2)16(18)21)12-17-5-6-20-7-9-22-10-8-20/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyHXTAEICWENAHHH-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.30
Rot. Bonds5

About 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one

1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one (PubChem CID 6473290) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one
PubChem CID6473290
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCCN3CCOCC3)ccc21
InChIInChI=1S/C16H24N4O2/c1-18-14-4-3-13(11-15(14)19(2)16(18)21)12-17-5-6-20-7-9-22-10-8-20/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyHXTAEICWENAHHH-UHFFFAOYSA-N
XLogP0.30
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Flibanserin
CID 6918248
(5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one
CID 132955
N-[4-(propan-2-yl)phenyl]morpholine-4-carboxamide
CID 669753
(R)-3-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576969
5-(aminomethyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 757168
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
5-(Dipropylamino)-5,6-dihydro-4H-imidazo-(5,1ij)quinolin-2(1H)-one
CID 131559
Cambridge id 5351356
CID 755066
N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 11553971
6-(3-Ethyl-4-methyl-phenylamino)-3-(2-morpholin-4-yl-ethyl)-1H-pyrimidine-2,4-dione
CID 11710181
5-Fluoro-6-methyl-1-[1-(tetrahydropyran-4-yl)-piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 16071018

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one (CID 6473290) is 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(CNCCN3CCOCC3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one?
The InChIKey is HXTAEICWENAHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18-14-4-3-13(11-15(14)19(2)16(18)21)12-17-5-6-20-7-9-22-10-8-20/h3-4,11,17H,5-10,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one?
1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one has a molecular weight of 304.39 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-morpholin-4-ylethylamino)methyl]benzimidazol-2-one is sourced from PubChem (CID 6473290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).