1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine

C19H20FN3O — CID 4915477

IUPAC1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine
SMILESCCCCn1c(-c2ccc(F)cc2)nc2cc(C=NOC)ccc21
InChIInChI=1S/C19H20FN3O/c1-3-4-11-23-18-10-5-14(13-21-24-2)12-17(18)22-19(23)15-6-8-16(20)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyHRUMQAYYVDWGJZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.62
Rot. Bonds6

About 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine

1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine (PubChem CID 4915477) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine
PubChem CID4915477
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine
SMILESCCCCn1c(-c2ccc(F)cc2)nc2cc(C=NOC)ccc21
InChIInChI=1S/C19H20FN3O/c1-3-4-11-23-18-10-5-14(13-21-24-2)12-17(18)22-19(23)15-6-8-16(20)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyHRUMQAYYVDWGJZ-UHFFFAOYSA-N
XLogP4.62
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
3-butyl-2-(4-fluorophenyl)benzimidazole-5-carbonitrile
CID 44543222
5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 82332135
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183
2-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176
3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one
CID 45029222
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde
CID 4915333
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
5-[[4-(1-butyl-5,6-dichlorobenzimidazol-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73444548
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482

Frequently Asked Questions

What is the IUPAC name of 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine?
The IUPAC name of 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine (CID 4915477) is 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine.
What is the SMILES notation for 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine?
The canonical SMILES for 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine is CCCCn1c(-c2ccc(F)cc2)nc2cc(C=NOC)ccc21.
What is the InChIKey of 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine?
The InChIKey is HRUMQAYYVDWGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-3-4-11-23-18-10-5-14(13-21-24-2)12-17(18)22-19(23)15-6-8-16(20)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine?
1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine has a molecular weight of 325.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine is sourced from PubChem (CID 4915477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).