N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine

C17H18BrN3 — CID 71722701

IUPACN-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESBrc1ccccc1CN1CCN=C1NCc1ccccc1
InChIInChI=1S/C17H18BrN3/c18-16-9-5-4-8-15(16)13-21-11-10-19-17(21)20-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyCLZMVAJQUGIVEC-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.41
Rot. Bonds4

About N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine

N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 71722701) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID71722701
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC NameN-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESBrc1ccccc1CN1CCN=C1NCc1ccccc1
InChIInChI=1S/C17H18BrN3/c18-16-9-5-4-8-15(16)13-21-11-10-19-17(21)20-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20)
InChIKeyCLZMVAJQUGIVEC-UHFFFAOYSA-N
XLogP3.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine (CID 71722701) is N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine is Brc1ccccc1CN1CCN=C1NCc1ccccc1.
What is the InChIKey of N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is CLZMVAJQUGIVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c18-16-9-5-4-8-15(16)13-21-11-10-19-17(21)20-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine?
N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 344.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-bromophenyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 71722701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).