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

C16H22N4 — CID 106571578

IUPACN-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
SMILESCC(C)Nc1nccn1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H22N4/c1-13(2)18-16-17-9-12-20(16)15-7-5-14(6-8-15)19-10-3-4-11-19/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyGRNWDQYYMPEANZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.29
Rot. Bonds4

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

N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine (PubChem CID 106571578) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
PubChem CID106571578
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
SMILESCC(C)Nc1nccn1-c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H22N4/c1-13(2)18-16-17-9-12-20(16)15-7-5-14(6-8-15)19-10-3-4-11-19/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyGRNWDQYYMPEANZ-UHFFFAOYSA-N
XLogP3.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.29
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

4-methyl-N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571585
1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571572
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085
N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine
CID 106580867
1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106571459
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
CID 106566372
1-(2-piperidin-1-ylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106567940
N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556165
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The IUPAC name of N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine (CID 106571578) is N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine.
What is the SMILES notation for N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The canonical SMILES for N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine is CC(C)Nc1nccn1-c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
The InChIKey is GRNWDQYYMPEANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(2)18-16-17-9-12-20(16)15-7-5-14(6-8-15)19-10-3-4-11-19/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine?
N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine is sourced from PubChem (CID 106571578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).