1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine

C14H21N5 — CID 120969451

IUPAC1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H21N5/c1-18-9-6-16-14(18)17-11-12-4-5-15-13(10-12)19-7-2-3-8-19/h4-5,10H,2-3,6-9,11H2,1H3,(H,16,17)
InChIKeyQTLZUEGZFYCKFF-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.07
Rot. Bonds3

About 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120969451) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120969451
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C14H21N5/c1-18-9-6-16-14(18)17-11-12-4-5-15-13(10-12)19-7-2-3-8-19/h4-5,10H,2-3,6-9,11H2,1H3,(H,16,17)
InChIKeyQTLZUEGZFYCKFF-UHFFFAOYSA-N
XLogP1.07
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine (CID 120969451) is 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is QTLZUEGZFYCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-18-9-6-16-14(18)17-11-12-4-5-15-13(10-12)19-7-2-3-8-19/h4-5,10H,2-3,6-9,11H2,1H3,(H,16,17).
What are the key properties of 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).