N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline

C22H29N3 — CID 15227534

IUPACN-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline
SMILESCCCCCN1CCN=C1CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3/c1-2-3-10-16-24-17-15-23-22(24)19-25(21-13-8-5-9-14-21)18-20-11-6-4-7-12-20/h4-9,11-14H,2-3,10,15-19H2,1H3
InChIKeyKDKQFCJYWQILQW-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.60
Rot. Bonds9

About N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline

N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline (PubChem CID 15227534) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline
PubChem CID15227534
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC NameN-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline
SMILESCCCCCN1CCN=C1CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3/c1-2-3-10-16-24-17-15-23-22(24)19-25(21-13-8-5-9-14-21)18-20-11-6-4-7-12-20/h4-9,11-14H,2-3,10,15-19H2,1H3
InChIKeyKDKQFCJYWQILQW-UHFFFAOYSA-N
XLogP4.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]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 N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline?
The IUPAC name of N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline (CID 15227534) is N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline.
What is the SMILES notation for N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline?
The canonical SMILES for N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline is CCCCCN1CCN=C1CN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline?
The InChIKey is KDKQFCJYWQILQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-3-10-16-24-17-15-23-22(24)19-25(21-13-8-5-9-14-21)18-20-11-6-4-7-12-20/h4-9,11-14H,2-3,10,15-19H2,1H3.
What are the key properties of N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline?
N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline has a molecular weight of 335.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-pentyl-4,5-dihydroimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 15227534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).