2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine

C15H19N3 — CID 79329414

IUPAC2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1ccc(-n2ccnc2)cc1)CNC
InChIInChI=1S/C15H19N3/c1-3-13(11-16-2)10-14-4-6-15(7-5-14)18-9-8-17-12-18/h4-10,12,16H,3,11H2,1-2H3
InChIKeyXYZMDZVRSYTRKD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.89
Rot. Bonds5

About 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine

2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine (PubChem CID 79329414) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine
PubChem CID79329414
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine
SMILESCCC(=Cc1ccc(-n2ccnc2)cc1)CNC
InChIInChI=1S/C15H19N3/c1-3-13(11-16-2)10-14-4-6-15(7-5-14)18-9-8-17-12-18/h4-10,12,16H,3,11H2,1-2H3
InChIKeyXYZMDZVRSYTRKD-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341716
2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79342203
(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092939
(E)-4-(4-imidazol-1-ylphenyl)-3-methylbut-3-en-2-one
CID 103090983
(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
CID 22631238
(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 56840682
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
1-(4-butylphenyl)imidazole
CID 174821695
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
CID 58835268
(E)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid
CID 15045263
1-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]imidazole
CID 173228165

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine?
The IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine (CID 79329414) is 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine?
The canonical SMILES for 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine is CCC(=Cc1ccc(-n2ccnc2)cc1)CNC.
What is the InChIKey of 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine?
The InChIKey is XYZMDZVRSYTRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-13(11-16-2)10-14-4-6-15(7-5-14)18-9-8-17-12-18/h4-10,12,16H,3,11H2,1-2H3.
What are the key properties of 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine?
2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine is sourced from PubChem (CID 79329414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).