[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine

C17H18N4 — CID 82557868

IUPAC[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2ccncc2)cc1
InChIInChI=1S/C17H18N4/c18-12-15-1-3-16(4-2-15)13-21-10-9-20-17(21)11-14-5-7-19-8-6-14/h1-10H,11-13,18H2
InChIKeyHVARMKMELWYPFZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.38
Rot. Bonds5

About [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82557868) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82557868
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2ccncc2)cc1
InChIInChI=1S/C17H18N4/c18-12-15-1-3-16(4-2-15)13-21-10-9-20-17(21)11-14-5-7-19-8-6-14/h1-10H,11-13,18H2
InChIKeyHVARMKMELWYPFZ-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561391
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzoic acid
CID 82559941
4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine (CID 82557868) is [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine is NCc1ccc(Cn2ccnc2Cc2ccncc2)cc1.
What is the InChIKey of [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is HVARMKMELWYPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-12-15-1-3-16(4-2-15)13-21-10-9-20-17(21)11-14-5-7-19-8-6-14/h1-10H,11-13,18H2.
What are the key properties of [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82557868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).