N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

C16H16N4 — CID 71923683

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESc1ccc(NCc2ccc(Cn3ccnc3)cc2)nc1
InChIInChI=1S/C16H16N4/c1-2-8-18-16(3-1)19-11-14-4-6-15(7-5-14)12-20-10-9-17-13-20/h1-10,13H,11-12H2,(H,18,19)
InChIKeyMGLNWWDQWKAZRQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 71923683) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
PubChem CID71923683
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESc1ccc(NCc2ccc(Cn3ccnc3)cc2)nc1
InChIInChI=1S/C16H16N4/c1-2-8-18-16(3-1)19-11-14-4-6-15(7-5-14)12-20-10-9-17-13-20/h1-10,13H,11-12H2,(H,18,19)
InChIKeyMGLNWWDQWKAZRQ-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (CID 71923683) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is c1ccc(NCc2ccc(Cn3ccnc3)cc2)nc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is MGLNWWDQWKAZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-8-18-16(3-1)19-11-14-4-6-15(7-5-14)12-20-10-9-17-13-20/h1-10,13H,11-12H2,(H,18,19).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 71923683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).