N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine

C16H16N4 — CID 63109462

IUPACN-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
SMILESc1ccc(C(NCc2cnc[nH]2)c2ccncc2)cc1
InChIInChI=1S/C16H16N4/c1-2-4-13(5-3-1)16(14-6-8-17-9-7-14)19-11-15-10-18-12-20-15/h1-10,12,16,19H,11H2,(H,18,20)
InChIKeyNLNVKZFFKIYTDH-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.68
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine

N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine (PubChem CID 63109462) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
PubChem CID63109462
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
SMILESc1ccc(C(NCc2cnc[nH]2)c2ccncc2)cc1
InChIInChI=1S/C16H16N4/c1-2-4-13(5-3-1)16(14-6-8-17-9-7-14)19-11-15-10-18-12-20-15/h1-10,12,16,19H,11H2,(H,18,20)
InChIKeyNLNVKZFFKIYTDH-UHFFFAOYSA-N
XLogP2.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 164896206
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979173
(2S)-2-(1H-imidazol-5-ylmethylamino)-3-phenylpropan-1-ol
CID 102610097
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 60664173
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568
1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine (CID 63109462) is N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine is c1ccc(C(NCc2cnc[nH]2)c2ccncc2)cc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine?
The InChIKey is NLNVKZFFKIYTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-4-13(5-3-1)16(14-6-8-17-9-7-14)19-11-15-10-18-12-20-15/h1-10,12,16,19H,11H2,(H,18,20).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine?
N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 63109462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).