(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine

C15H19N3 — CID 103092939

IUPAC(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H19N3/c1-12(13(2)16-3)10-14-4-6-15(7-5-14)18-9-8-17-11-18/h4-11,13,16H,1-3H3/b12-10+
InChIKeyLBDNIGJTEFJIHA-ZRDIBKRKSA-N
MW241.34 g/mol
LogP2.88
Rot. Bonds4

About (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine

(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 103092939) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID103092939
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H19N3/c1-12(13(2)16-3)10-14-4-6-15(7-5-14)18-9-8-17-11-18/h4-11,13,16H,1-3H3/b12-10+
InChIKeyLBDNIGJTEFJIHA-ZRDIBKRKSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(4-imidazol-1-ylphenyl)-3-methylbut-3-en-2-one
CID 103090983
2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79342203
2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine
CID 79329414
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
CID 58835268
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
(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
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
methyl 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetate
CID 117335977

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine (CID 103092939) is (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine is CNC(C)/C(C)=C/c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is LBDNIGJTEFJIHA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H19N3/c1-12(13(2)16-3)10-14-4-6-15(7-5-14)18-9-8-17-11-18/h4-11,13,16H,1-3H3/b12-10+.
What are the key properties of (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine?
(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103092939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).