4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline

C15H21N3 — CID 43722361

IUPAC4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-4-11(2)12(3)18-14-7-5-13(6-8-14)15-9-16-10-17-15/h5-12,18H,4H2,1-3H3,(H,16,17)
InChIKeyJCLPLPNALLCBCM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.92
Rot. Bonds5

About 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline

4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline (PubChem CID 43722361) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline
PubChem CID43722361
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-4-11(2)12(3)18-14-7-5-13(6-8-14)15-9-16-10-17-15/h5-12,18H,4H2,1-3H3,(H,16,17)
InChIKeyJCLPLPNALLCBCM-UHFFFAOYSA-N
XLogP3.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline (CID 43722361) is 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline is CCC(C)C(C)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline?
The InChIKey is JCLPLPNALLCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-11(2)12(3)18-14-7-5-13(6-8-14)15-9-16-10-17-15/h5-12,18H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline?
4-(1H-imidazol-5-yl)-N-(3-methylpentan-2-yl)aniline has a molecular weight of 243.35 g/mol, XLogP of 3.92, 5 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-(3-methylpentan-2-yl)aniline is sourced from PubChem (CID 43722361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).