N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline

C12H15N3 — CID 13178310

IUPACN-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
SMILESCc1cccc(NCc2cnc[nH]2)c1C
InChIInChI=1S/C12H15N3/c1-9-4-3-5-12(10(9)2)14-7-11-6-13-8-15-11/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyCMKGHDCSSNKSSM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.64
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline

N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline (PubChem CID 13178310) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
PubChem CID13178310
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
SMILESCc1cccc(NCc2cnc[nH]2)c1C
InChIInChI=1S/C12H15N3/c1-9-4-3-5-12(10(9)2)14-7-11-6-13-8-15-11/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyCMKGHDCSSNKSSM-UHFFFAOYSA-N
XLogP2.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
CID 55109216
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663563
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
3-(1H-imidazol-5-ylmethylamino)-N,4-dimethylbenzamide
CID 55109073

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline (CID 13178310) is N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline is Cc1cccc(NCc2cnc[nH]2)c1C.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline?
The InChIKey is CMKGHDCSSNKSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-4-3-5-12(10(9)2)14-7-11-6-13-8-15-11/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline?
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline has a molecular weight of 201.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline is sourced from PubChem (CID 13178310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).