N-[2-(1H-imidazol-5-yl)ethyl]aniline

C11H13N3 — CID 46222042

IUPACN-[2-(1H-imidazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2cnc[nH]2)cc1
InChIInChI=1S/C11H13N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)
InChIKeyJNHQUQHJWWFGKK-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]aniline

N-[2-(1H-imidazol-5-yl)ethyl]aniline (PubChem CID 46222042) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]aniline
PubChem CID46222042
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]aniline
SMILESc1ccc(NCCc2cnc[nH]2)cc1
InChIInChI=1S/C11H13N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14)
InChIKeyJNHQUQHJWWFGKK-UHFFFAOYSA-N
XLogP2.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]aniline?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]aniline (CID 46222042) is N-[2-(1H-imidazol-5-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]aniline?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]aniline is c1ccc(NCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]aniline?
The InChIKey is JNHQUQHJWWFGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h1-5,8-9,13H,6-7H2,(H,12,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]aniline?
N-[2-(1H-imidazol-5-yl)ethyl]aniline has a molecular weight of 187.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]aniline is sourced from PubChem (CID 46222042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).