N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline

C13H17N3 — CID 46222044

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NCCc2cnc[nH]2)cc1C
InChIInChI=1S/C13H17N3/c1-10-3-4-12(7-11(10)2)15-6-5-13-8-14-9-16-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyGHCPLWBMALOXTM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline

N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline (PubChem CID 46222044) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline
PubChem CID46222044
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline
SMILESCc1ccc(NCCc2cnc[nH]2)cc1C
InChIInChI=1S/C13H17N3/c1-10-3-4-12(7-11(10)2)15-6-5-13-8-14-9-16-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyGHCPLWBMALOXTM-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dexmedetomidine
CID 5311068
5,6-Dimethylbenzimidazole
CID 675
Medetomidine
CID 68602
Atipamezole
CID 71310
Dexmedetomidine Hydrochloride
CID 6918081
Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
5-Methylbenzimidazole
CID 11979
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
3-(1H-imidazol-5-yl)pyridine
CID 3040177

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline (CID 46222044) is N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline is Cc1ccc(NCCc2cnc[nH]2)cc1C.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline?
The InChIKey is GHCPLWBMALOXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-4-12(7-11(10)2)15-6-5-13-8-14-9-16-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline?
N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline has a molecular weight of 215.30 g/mol, XLogP of 2.68, 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]-3,4-dimethylaniline is sourced from PubChem (CID 46222044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).