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

C17H18N4 — CID 43408958

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
SMILESCn1ccnc1CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C17H18N4/c1-21-12-11-19-16(21)13-20-17(14-5-3-2-4-6-14)15-7-9-18-10-8-15/h2-12,17,20H,13H2,1H3
InChIKeyFPRHKBNYWDGABZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.69
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine (PubChem CID 43408958) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
PubChem CID43408958
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
SMILESCn1ccnc1CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C17H18N4/c1-21-12-11-19-16(21)13-20-17(14-5-3-2-4-6-14)15-7-9-18-10-8-15/h2-12,17,20H,13H2,1H3
InChIKeyFPRHKBNYWDGABZ-UHFFFAOYSA-N
XLogP2.69
TPSA42.74 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 60664173
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979173
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine (CID 43408958) is N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine is Cn1ccnc1CNC(c1ccccc1)c1ccncc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
The InChIKey is FPRHKBNYWDGABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21-12-11-19-16(21)13-20-17(14-5-3-2-4-6-14)15-7-9-18-10-8-15/h2-12,17,20H,13H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 43408958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).