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

C19H22N4 — CID 71988774

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H22N4/c1-22(13-9-17-7-10-20-11-8-17)16-19-21-12-14-23(19)15-18-5-3-2-4-6-18/h2-8,10-12,14H,9,13,15-16H2,1H3
InChIKeySQKONDYKXYLXGQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.00
Rot. Bonds7

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

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 71988774) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID71988774
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H22N4/c1-22(13-9-17-7-10-20-11-8-17)16-19-21-12-14-23(19)15-18-5-3-2-4-6-18/h2-8,10-12,14H,9,13,15-16H2,1H3
InChIKeySQKONDYKXYLXGQ-UHFFFAOYSA-N
XLogP3.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.00
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-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 71988774) is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is SQKONDYKXYLXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-22(13-9-17-7-10-20-11-8-17)16-19-21-12-14-23(19)15-18-5-3-2-4-6-18/h2-8,10-12,14H,9,13,15-16H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 306.41 g/mol, XLogP of 3.00, 7 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-2-pyridin-4-ylethanamine is sourced from PubChem (CID 71988774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).