1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one

C20H32N4O2 — CID 21273406

IUPAC1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
SMILESCNCCCCCCn1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H32N4O2/c1-21-10-6-2-3-7-11-23-18-8-4-5-9-19(18)24(20(23)25)13-12-22-14-16-26-17-15-22/h4-5,8-9,21H,2-3,6-7,10-17H2,1H3
InChIKeyWVAWVMRNYRWCAQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.91
Rot. Bonds10

About 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one

1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one (PubChem CID 21273406) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
PubChem CID21273406
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
SMILESCNCCCCCCn1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H32N4O2/c1-21-10-6-2-3-7-11-23-18-8-4-5-9-19(18)24(20(23)25)13-12-22-14-16-26-17-15-22/h4-5,8-9,21H,2-3,6-7,10-17H2,1H3
InChIKeyWVAWVMRNYRWCAQ-UHFFFAOYSA-N
XLogP1.91
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.91
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

ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
1-[4-(methylamino)butyl]-3-(pyridin-2-ylmethyl)benzimidazol-2-one
CID 21273540
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-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 69023962
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide;hydrochloride
CID 11553970

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The IUPAC name of 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one (CID 21273406) is 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one.
What is the SMILES notation for 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The canonical SMILES for 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one is CNCCCCCCn1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The InChIKey is WVAWVMRNYRWCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-21-10-6-2-3-7-11-23-18-8-4-5-9-19(18)24(20(23)25)13-12-22-14-16-26-17-15-22/h4-5,8-9,21H,2-3,6-7,10-17H2,1H3.
What are the key properties of 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one has a molecular weight of 360.50 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one is sourced from PubChem (CID 21273406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).