N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine

C16H16N4 — CID 62465629

IUPACN-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1Cn1ccnc1-c1ccccc1
InChIInChI=1S/C16H16N4/c1-17-15-14(8-5-9-18-15)12-20-11-10-19-16(20)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,17,18)
InChIKeyBSPMASOWUBEOCX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.04
Rot. Bonds4

About N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine

N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine (PubChem CID 62465629) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine
PubChem CID62465629
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1Cn1ccnc1-c1ccccc1
InChIInChI=1S/C16H16N4/c1-17-15-14(8-5-9-18-15)12-20-11-10-19-16(20)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,17,18)
InChIKeyBSPMASOWUBEOCX-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine (CID 62465629) is N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine is CNc1ncccc1Cn1ccnc1-c1ccccc1.
What is the InChIKey of N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is BSPMASOWUBEOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-17-15-14(8-5-9-18-15)12-20-11-10-19-16(20)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,17,18).
What are the key properties of N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine?
N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-phenylimidazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62465629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).