N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

C17H19N3 — CID 165345148

IUPACN-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(CNc2ccc(CC3=NCCN3)cc2)cc1
InChIInChI=1S/C17H19N3/c1-2-4-15(5-3-1)13-20-16-8-6-14(7-9-16)12-17-18-10-11-19-17/h1-9,20H,10-13H2,(H,18,19)
InChIKeyKWDKBYAAYAOIIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.84
Rot. Bonds5

About N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 165345148) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID165345148
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(CNc2ccc(CC3=NCCN3)cc2)cc1
InChIInChI=1S/C17H19N3/c1-2-4-15(5-3-1)13-20-16-8-6-14(7-9-16)12-17-18-10-11-19-17/h1-9,20H,10-13H2,(H,18,19)
InChIKeyKWDKBYAAYAOIIH-UHFFFAOYSA-N
XLogP2.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 165345148) is N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is c1ccc(CNc2ccc(CC3=NCCN3)cc2)cc1.
What is the InChIKey of N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is KWDKBYAAYAOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-4-15(5-3-1)13-20-16-8-6-14(7-9-16)12-17-18-10-11-19-17/h1-9,20H,10-13H2,(H,18,19).
What are the key properties of N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 265.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 165345148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).