N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine

C19H22N4O — CID 51086116

IUPACN-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccc(OCc2nccn2C)cc1)c1cccnc1
InChIInChI=1S/C19H22N4O/c1-15(17-4-3-9-20-13-17)22-12-16-5-7-18(8-6-16)24-14-19-21-10-11-23(19)2/h3-11,13,15,22H,12,14H2,1-2H3
InChIKeyINLACHUSXPCIKR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.24
Rot. Bonds7

About N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine

N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine (PubChem CID 51086116) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine
PubChem CID51086116
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccc(OCc2nccn2C)cc1)c1cccnc1
InChIInChI=1S/C19H22N4O/c1-15(17-4-3-9-20-13-17)22-12-16-5-7-18(8-6-16)24-14-19-21-10-11-23(19)2/h3-11,13,15,22H,12,14H2,1-2H3
InChIKeyINLACHUSXPCIKR-UHFFFAOYSA-N
XLogP3.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine (CID 51086116) is N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine is CC(NCc1ccc(OCc2nccn2C)cc1)c1cccnc1.
What is the InChIKey of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine?
The InChIKey is INLACHUSXPCIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15(17-4-3-9-20-13-17)22-12-16-5-7-18(8-6-16)24-14-19-21-10-11-23(19)2/h3-11,13,15,22H,12,14H2,1-2H3.
What are the key properties of N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine?
N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine has a molecular weight of 322.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 51086116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).