9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one

C17H19N3O2 — CID 175946671

IUPAC9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
SMILESCN1CN(C)C2=C1C(=O)c1ccccc1C2=NOCC1CC1
InChIInChI=1S/C17H19N3O2/c1-19-10-20(2)16-15(19)14(18-22-9-11-7-8-11)12-5-3-4-6-13(12)17(16)21/h3-6,11H,7-10H2,1-2H3
InChIKeyCFHYWZFDVCRLMR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.06
Rot. Bonds3

About 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one

9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one (PubChem CID 175946671) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one.

Molecular Properties

Compound Name9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
PubChem CID175946671
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
SMILESCN1CN(C)C2=C1C(=O)c1ccccc1C2=NOCC1CC1
InChIInChI=1S/C17H19N3O2/c1-19-10-20(2)16-15(19)14(18-22-9-11-7-8-11)12-5-3-4-6-13(12)17(16)21/h3-6,11H,7-10H2,1-2H3
InChIKeyCFHYWZFDVCRLMR-UHFFFAOYSA-N
XLogP2.06
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', '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

9-ethoxyimino-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
CID 175946662
1,3-dimethyl-9-(2-methylpropoxyimino)-2H-benzo[f]benzimidazol-4-one
CID 175949133
9-[(4-methoxyphenyl)methoxyimino]-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one
CID 175946653
(4Z)-4-ethoxyimino-2,3-dimethylnaphthalen-1-one
CID 170208852
(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 7730801
anthracene-9,10-dione;propane
CID 162068050
methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate
CID 11265719
4-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 176969945
2-[4-(hydroxymethyl)cyclohexyl]-3-methylnaphthalene-1,4-dione
CID 10636798
3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one
CID 137208388
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
5-[2-(cyclopropylmethoxymethylsulfonyl)phenyl]-1,4-dimethylpyridin-2-one
CID 172821205

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
The IUPAC name of 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one (CID 175946671) is 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one.
What is the SMILES notation for 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
The canonical SMILES for 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one is CN1CN(C)C2=C1C(=O)c1ccccc1C2=NOCC1CC1.
What is the InChIKey of 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
The InChIKey is CFHYWZFDVCRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-10-20(2)16-15(19)14(18-22-9-11-7-8-11)12-5-3-4-6-13(12)17(16)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one?
9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethoxyimino)-1,3-dimethyl-2H-benzo[f]benzimidazol-4-one is sourced from PubChem (CID 175946671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).