N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine

C14H18N4 — CID 62975773

IUPACN-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C14H18N4/c1-17-8-6-12(10-17)16-13-4-2-3-5-14(13)18-9-7-15-11-18/h2-5,7,9,11-12,16H,6,8,10H2,1H3
InChIKeyUEGQMULRJBEDET-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.99
Rot. Bonds3

About N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine

N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 62975773) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine
PubChem CID62975773
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C14H18N4/c1-17-8-6-12(10-17)16-13-4-2-3-5-14(13)18-9-7-15-11-18/h2-5,7,9,11-12,16H,6,8,10H2,1H3
InChIKeyUEGQMULRJBEDET-UHFFFAOYSA-N
XLogP1.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine (CID 62975773) is N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine is CN1CCC(Nc2ccccc2-n2ccnc2)C1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is UEGQMULRJBEDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-8-6-12(10-17)16-13-4-2-3-5-14(13)18-9-7-15-11-18/h2-5,7,9,11-12,16H,6,8,10H2,1H3.
What are the key properties of N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine?
N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 62975773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).