4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole

C13H17N3 — CID 46222044

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline
SMILESCC1=C(C=C(C=C1)NCCC2=CN=CN2)C
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
MW215.29 g/mol
LogP2.80
Rot. Bonds4

About 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole

4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole (PubChem CID 46222044) has the molecular formula C13H17N3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline.

Molecular Properties

Compound Name4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole
PubChem CID46222044
Molecular FormulaC13H17N3
Molecular Weight215.29 g/mol
Exact Mass215.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline
SMILESCC1=C(C=C(C=C1)NCCC2=CN=CN2)C
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
XLogP2.80
TPSA40.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.80
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 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole?
The IUPAC name of 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole (CID 46222044) is N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dimethylaniline.
What is the SMILES notation for 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole?
The canonical SMILES for 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole is CC1=C(C=C(C=C1)NCCC2=CN=CN2)C.
What is the InChIKey of 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole?
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 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole?
4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole has a molecular weight of 215.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole is sourced from PubChem (CID 46222044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).