1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one

C15H20ClN3O2 — CID 18630863

IUPAC1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
SMILESO=c1n(CCCl)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C15H20ClN3O2/c16-5-6-18-13-3-1-2-4-14(13)19(15(18)20)8-7-17-9-11-21-12-10-17/h1-4H,5-12H2
InChIKeyHYTLANSLKYSCSW-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.37
Rot. Bonds5

About 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one

1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one (PubChem CID 18630863) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
PubChem CID18630863
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
SMILESO=c1n(CCCl)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C15H20ClN3O2/c16-5-6-18-13-3-1-2-4-14(13)19(15(18)20)8-7-17-9-11-21-12-10-17/h1-4H,5-12H2
InChIKeyHYTLANSLKYSCSW-UHFFFAOYSA-N
XLogP1.37
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
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
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
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
(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783944
10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
CID 10267337
1-(2-morpholin-4-ylethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10037683

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The IUPAC name of 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one (CID 18630863) is 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one.
What is the SMILES notation for 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The canonical SMILES for 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one is O=c1n(CCCl)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
The InChIKey is HYTLANSLKYSCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-5-6-18-13-3-1-2-4-14(13)19(15(18)20)8-7-17-9-11-21-12-10-17/h1-4H,5-12H2.
What are the key properties of 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one?
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one has a molecular weight of 309.80 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one is sourced from PubChem (CID 18630863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).