N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine

C18H20N4 — CID 71988773

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(Cc1ccncc1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C18H20N4/c1-21(13-17-7-9-19-10-8-17)15-18-20-11-12-22(18)14-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3
InChIKeyKMFQPMVLRIOFEE-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.96
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 71988773) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID71988773
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCN(Cc1ccncc1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C18H20N4/c1-21(13-17-7-9-19-10-8-17)15-18-20-11-12-22(18)14-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3
InChIKeyKMFQPMVLRIOFEE-UHFFFAOYSA-N
XLogP2.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine (CID 71988773) is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine is CN(Cc1ccncc1)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is KMFQPMVLRIOFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21(13-17-7-9-19-10-8-17)15-18-20-11-12-22(18)14-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 292.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 71988773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).