4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline

C18H19N3 — CID 43722465

IUPAC4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1C(C)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-13-5-3-4-6-17(13)14(2)21-16-9-7-15(8-10-16)18-11-19-12-20-18/h3-12,14,21H,1-2H3,(H,19,20)
InChIKeyDEIZIWBXGUUFGN-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.56
Rot. Bonds4

About 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline

4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline (PubChem CID 43722465) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline
PubChem CID43722465
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1C(C)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C18H19N3/c1-13-5-3-4-6-17(13)14(2)21-16-9-7-15(8-10-16)18-11-19-12-20-18/h3-12,14,21H,1-2H3,(H,19,20)
InChIKeyDEIZIWBXGUUFGN-UHFFFAOYSA-N
XLogP4.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]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

N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
CID 43099518
N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788
N-[1-(4-methyl-3-pyridinyl)ethyl]aniline
CID 115888646
N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745402
5-[bis(2-methylphenyl)methyl]-1H-imidazole
CID 13071795
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
5-methyl-N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine
CID 106567449
2-N,2-N-diethyl-5-N-[1-(2-methylphenyl)ethyl]pyridine-2,5-diamine
CID 43697435
N-[4-(1H-imidazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 43722508
N-[1-(2-methylphenyl)ethyl]quinolin-3-amine
CID 43691256
tert-butyl N-[2-[4-(1H-imidazol-5-yl)anilino]propyl]carbamate
CID 103388551

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline (CID 43722465) is 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline is Cc1ccccc1C(C)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline?
The InChIKey is DEIZIWBXGUUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-5-3-4-6-17(13)14(2)21-16-9-7-15(8-10-16)18-11-19-12-20-18/h3-12,14,21H,1-2H3,(H,19,20).
What are the key properties of 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline?
4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43722465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).