5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one

C14H20N4O2 — CID 135352659

IUPAC5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCOCCN/N=C/c1ccc2[nH]c(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H20N4O2/c1-10(2)18-13-8-11(9-16-15-6-7-20-3)4-5-12(13)17-14(18)19/h4-5,8-10,15H,6-7H2,1-3H3,(H,17,19)/b16-9+
InChIKeyAWGIRKBMUHFTSJ-CXUHLZMHSA-N
MW276.34 g/mol
LogP1.48
Rot. Bonds6

About 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one

5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 135352659) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID135352659
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCOCCN/N=C/c1ccc2[nH]c(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H20N4O2/c1-10(2)18-13-8-11(9-16-15-6-7-20-3)4-5-12(13)17-14(18)19/h4-5,8-10,15H,6-7H2,1-3H3,(H,17,19)/b16-9+
InChIKeyAWGIRKBMUHFTSJ-CXUHLZMHSA-N
XLogP1.48
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methyl-N-(2-oxo-3-propan-2-yl-1H-benzimidazol-5-yl)hex-2-enamide
CID 170673600
3-(1-methoxypropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82781664
5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one
CID 146019025
5-(2-amino-1-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 83896659
3-(1-methoxypropan-2-yl)-1H-benzimidazol-2-one
CID 10442968
5-imidazol-1-yl-3-propan-2-yl-1H-benzimidazol-2-one
CID 11413816
N-methyl-N-[4-(methylamino)-4-oxobutyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 146107620
6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
CID 90717928
6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117338879
N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 154865890
3-(2,2-dimethoxyethyl)-5-(1-iodoethyl)-1H-benzimidazol-2-one
CID 146336235
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one (CID 135352659) is 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one is COCCN/N=C/c1ccc2[nH]c(=O)n(C(C)C)c2c1.
What is the InChIKey of 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is AWGIRKBMUHFTSJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)18-13-8-11(9-16-15-6-7-20-3)4-5-12(13)17-14(18)19/h4-5,8-10,15H,6-7H2,1-3H3,(H,17,19)/b16-9+.
What are the key properties of 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one?
5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(2-methoxyethylhydrazinylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 135352659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).