3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine

C17H25N3 — CID 107444011

IUPAC3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)c1cccc(-n2cncc2C(CN)C(C)C)c1
InChIInChI=1S/C17H25N3/c1-12(2)14-6-5-7-15(8-14)20-11-19-10-17(20)16(9-18)13(3)4/h5-8,10-13,16H,9,18H2,1-4H3
InChIKeyMZUGBIVWVQDUAW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.69
Rot. Bonds5

About 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine

3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine (PubChem CID 107444011) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine
PubChem CID107444011
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)c1cccc(-n2cncc2C(CN)C(C)C)c1
InChIInChI=1S/C17H25N3/c1-12(2)14-6-5-7-15(8-14)20-11-19-10-17(20)16(9-18)13(3)4/h5-8,10-13,16H,9,18H2,1-4H3
InChIKeyMZUGBIVWVQDUAW-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444004
2-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444265
2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine
CID 83886796
2-[3-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687259
2-[3-(5-chloro-2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443874
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444003
2-[3-(5-fluoro-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444228
2-[3-[2-(difluoromethylsulfanyl)phenyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443932
2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444285
4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717854
2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444056

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine (CID 107444011) is 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine is CC(C)c1cccc(-n2cncc2C(CN)C(C)C)c1.
What is the InChIKey of 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine?
The InChIKey is MZUGBIVWVQDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)14-6-5-7-15(8-14)20-11-19-10-17(20)16(9-18)13(3)4/h5-8,10-13,16H,9,18H2,1-4H3.
What are the key properties of 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 107444011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).