4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine

C17H24N4 — CID 106571585

IUPAC4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
SMILESCc1cn(-c2ccc(N3CCCC3)cc2)c(NC(C)C)n1
InChIInChI=1S/C17H24N4/c1-13(2)18-17-19-14(3)12-21(17)16-8-6-15(7-9-16)20-10-4-5-11-20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyKUUXHLVQNRFOEH-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.60
Rot. Bonds4

About 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine

4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine (PubChem CID 106571585) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
PubChem CID106571585
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
SMILESCc1cn(-c2ccc(N3CCCC3)cc2)c(NC(C)C)n1
InChIInChI=1S/C17H24N4/c1-13(2)18-17-19-14(3)12-21(17)16-8-6-15(7-9-16)20-10-4-5-11-20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyKUUXHLVQNRFOEH-UHFFFAOYSA-N
XLogP3.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571578
4-methyl-1-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571589
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106579932
4-methyl-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570264
1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine
CID 106567770
4-methyl-N-propan-2-yl-1-(2,4,5-trichlorophenyl)imidazol-2-amine
CID 106556563
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine
CID 106565725
4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole
CID 117189652

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine (CID 106571585) is 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine is Cc1cn(-c2ccc(N3CCCC3)cc2)c(NC(C)C)n1.
What is the InChIKey of 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The InChIKey is KUUXHLVQNRFOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(2)18-17-19-14(3)12-21(17)16-8-6-15(7-9-16)20-10-4-5-11-20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine has a molecular weight of 284.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine is sourced from PubChem (CID 106571585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).