N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline

C17H17N3 — CID 59348233

IUPACN,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline
SMILESCN(C)c1ccc(-n2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-19(2)15-8-10-16(11-9-15)20-13-12-18-17(20)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyBFFIVNVPNLGOPN-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.61
Rot. Bonds3

About N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline

N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline (PubChem CID 59348233) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline
PubChem CID59348233
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline
SMILESCN(C)c1ccc(-n2ccnc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-19(2)15-8-10-16(11-9-15)20-13-12-18-17(20)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyBFFIVNVPNLGOPN-UHFFFAOYSA-N
XLogP3.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline 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

1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
1,2-bis(3,5-diphenylphenyl)imidazole
CID 90181054
3-(1-phenylimidazol-2-yl)phenol
CID 70654534
2-(3-bromophenyl)-1-phenylimidazole
CID 70654369
1-(3-methoxy-4-propan-2-ylphenyl)-2-phenylimidazole
CID 156877703
ethane;1-methyl-2-phenylimidazole
CID 142155183
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
N-methyl-N,2-diphenylimidazole-1-carboxamide
CID 66682187
6-[4-(2-phenylimidazol-1-yl)phenyl]thieno[3,2-c]carbazole
CID 118227962

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline (CID 59348233) is N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline is CN(C)c1ccc(-n2ccnc2-c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline?
The InChIKey is BFFIVNVPNLGOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-19(2)15-8-10-16(11-9-15)20-13-12-18-17(20)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline?
N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline has a molecular weight of 263.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-phenylimidazol-1-yl)aniline is sourced from PubChem (CID 59348233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).