1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine

C18H28N4 — CID 120969584

IUPAC1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CCN(Cc2ccc(CNC3=NCCN3C)cc2)CC1
InChIInChI=1S/C18H28N4/c1-15-7-10-22(11-8-15)14-17-5-3-16(4-6-17)13-20-18-19-9-12-21(18)2/h3-6,15H,7-14H2,1-2H3,(H,19,20)
InChIKeyFCTDHBSQOUDLPS-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.31
Rot. Bonds4

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

1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120969584) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120969584
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CCN(Cc2ccc(CNC3=NCCN3C)cc2)CC1
InChIInChI=1S/C18H28N4/c1-15-7-10-22(11-8-15)14-17-5-3-16(4-6-17)13-20-18-19-9-12-21(18)2/h3-6,15H,7-14H2,1-2H3,(H,19,20)
InChIKeyFCTDHBSQOUDLPS-UHFFFAOYSA-N
XLogP2.31
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine (CID 120969584) is 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine is CC1CCN(Cc2ccc(CNC3=NCCN3C)cc2)CC1.
What is the InChIKey of 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FCTDHBSQOUDLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15-7-10-22(11-8-15)14-17-5-3-16(4-6-17)13-20-18-19-9-12-21(18)2/h3-6,15H,7-14H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 300.45 g/mol, XLogP of 2.31, 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-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).