3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

C19H27N3O4 — CID 70718822

IUPAC3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC(CCO)CC3)ccc21
InChIInChI=1S/C19H27N3O4/c1-2-26-12-10-22-17-4-3-15(13-16(17)20-19(22)25)18(24)21-8-5-14(6-9-21)7-11-23/h3-4,13-14,23H,2,5-12H2,1H3,(H,20,25)
InChIKeyFCYVACVKKHISNM-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.60
Rot. Bonds7

About 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one

3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (PubChem CID 70718822) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
PubChem CID70718822
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC(CCO)CC3)ccc21
InChIInChI=1S/C19H27N3O4/c1-2-26-12-10-22-17-4-3-15(13-16(17)20-19(22)25)18(24)21-8-5-14(6-9-21)7-11-23/h3-4,13-14,23H,2,5-12H2,1H3,(H,20,25)
InChIKeyFCYVACVKKHISNM-UHFFFAOYSA-N
XLogP1.60
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carbonyl]piperidine-4-carbonitrile
CID 70725902
3-(2-ethoxyethyl)-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
CID 70729310
1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 43591138
3-(2-ethoxyethyl)-6-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)-1H-benzimidazol-2-one
CID 70758317
1-(2-ethoxyethyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70707341
1-(2-ethoxyethyl)-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70775195
1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70752092
N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70726920
7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride
CID 119423703
1-(2-ethoxyethyl)-N-[(1-hydroxycyclohexyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70782291
1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70764381
3-(3-ethoxypropyl)-6-methyl-1H-benzimidazol-2-one
CID 139627865

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one (CID 70718822) is 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC(CCO)CC3)ccc21.
What is the InChIKey of 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
The InChIKey is FCYVACVKKHISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-26-12-10-22-17-4-3-15(13-16(17)20-19(22)25)18(24)21-8-5-14(6-9-21)7-11-23/h3-4,13-14,23H,2,5-12H2,1H3,(H,20,25).
What are the key properties of 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one?
3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one has a molecular weight of 361.44 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-6-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 70718822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).