N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine

C14H16N6 — CID 70776181

IUPACN-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/C14H16N6/c1-11-2-3-15-12(10-11)16-6-8-20-9-7-19-14(20)13-17-4-5-18-13/h2-5,7,9-10H,6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyHSLLJXVRMVUENM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.09
Rot. Bonds5

About N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine

N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine (PubChem CID 70776181) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine
PubChem CID70776181
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/C14H16N6/c1-11-2-3-15-12(10-11)16-6-8-20-9-7-19-14(20)13-17-4-5-18-13/h2-5,7,9-10H,6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyHSLLJXVRMVUENM-UHFFFAOYSA-N
XLogP2.09
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine (CID 70776181) is N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine is Cc1ccnc(NCCn2ccnc2-c2ncc[nH]2)c1.
What is the InChIKey of N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is HSLLJXVRMVUENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-11-2-3-15-12(10-11)16-6-8-20-9-7-19-14(20)13-17-4-5-18-13/h2-5,7,9-10H,6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine?
N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-imidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 70776181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).