1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine

C16H24N4 — CID 120969271

IUPAC1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H24N4/c1-19-11-8-17-16(19)18-12-14-4-6-15(7-5-14)13-20-9-2-3-10-20/h4-7H,2-3,8-13H2,1H3,(H,17,18)
InChIKeyAUJSRNWUVDIVSZ-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.67
Rot. Bonds4

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

1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120969271) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120969271
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H24N4/c1-19-11-8-17-16(19)18-12-14-4-6-15(7-5-14)13-20-9-2-3-10-20/h4-7H,2-3,8-13H2,1H3,(H,17,18)
InChIKeyAUJSRNWUVDIVSZ-UHFFFAOYSA-N
XLogP1.67
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969584
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-diazepin-2-amine;hydroiodide
CID 154799371
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969161
N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972145
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
1-methyl-N-(2-piperidin-1-ylethyl)-4,5-dihydroimidazol-2-amine
CID 120969301

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine (CID 120969271) is 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is AUJSRNWUVDIVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19-11-8-17-16(19)18-12-14-4-6-15(7-5-14)13-20-9-2-3-10-20/h4-7H,2-3,8-13H2,1H3,(H,17,18).
What are the key properties of 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 272.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).