2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

C18H25N3 — CID 79342203

IUPAC2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(=Cc1ccc(-n2ccnc2)cc1)C(C)C
InChIInChI=1S/C18H25N3/c1-14(2)17(12-20-15(3)4)11-16-5-7-18(8-6-16)21-10-9-19-13-21/h5-11,13-15,20H,12H2,1-4H3
InChIKeyNJFLLFGWROKDSI-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.91
Rot. Bonds6

About 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79342203) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79342203
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(=Cc1ccc(-n2ccnc2)cc1)C(C)C
InChIInChI=1S/C18H25N3/c1-14(2)17(12-20-15(3)4)11-16-5-7-18(8-6-16)21-10-9-19-13-21/h5-11,13-15,20H,12H2,1-4H3
InChIKeyNJFLLFGWROKDSI-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(4-imidazol-1-ylphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092939
2-[(4-imidazol-1-ylphenyl)methylidene]-N-methylbutan-1-amine
CID 79329414
(E)-4-(4-imidazol-1-ylphenyl)-3-methylbut-3-en-2-one
CID 103090983
2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338904
2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341716
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
CID 22631238
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine
CID 79338967
1-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]imidazole
CID 173228165
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (CID 79342203) is 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(=Cc1ccc(-n2ccnc2)cc1)C(C)C.
What is the InChIKey of 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is NJFLLFGWROKDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)17(12-20-15(3)4)11-16-5-7-18(8-6-16)21-10-9-19-13-21/h5-11,13-15,20H,12H2,1-4H3.
What are the key properties of 2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.91, 6 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]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79342203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).