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

C17H19N3 — CID 23617938

IUPAC2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(Cc2ccccc2NCC2=NCCN2)cc1
InChIInChI=1S/C17H19N3/c1-2-6-14(7-3-1)12-15-8-4-5-9-16(15)20-13-17-18-10-11-19-17/h1-9,20H,10-13H2,(H,18,19)
InChIKeyQWRPGZKZAFBYTO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.69
Rot. Bonds5

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

2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 23617938) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID23617938
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(Cc2ccccc2NCC2=NCCN2)cc1
InChIInChI=1S/C17H19N3/c1-2-6-14(7-3-1)12-15-8-4-5-9-16(15)20-13-17-18-10-11-19-17/h1-9,20H,10-13H2,(H,18,19)
InChIKeyQWRPGZKZAFBYTO-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-prop-2-enylaniline
CID 134156190
2-benzyl-4,5-dihydro-1H-imidazole;hydrate
CID 174926458
N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 165345148
3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 68913933
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-propan-2-ylsulfanylaniline;hydrochloride
CID 45260704
3-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-fluoroaniline
CID 14878257
2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 170150906
N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
CID 11525647
2-benzyl-4,5-dihydro-1H-imidazole;sulfurothioic O-acid
CID 18468865
ethane;2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 145111115
1-[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]pent-4-en-1-one
CID 22493267
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
CID 22493387

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 23617938) is 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is c1ccc(Cc2ccccc2NCC2=NCCN2)cc1.
What is the InChIKey of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is QWRPGZKZAFBYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-6-14(7-3-1)12-15-8-4-5-9-16(15)20-13-17-18-10-11-19-17/h1-9,20H,10-13H2,(H,18,19).
What are the key properties of 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 265.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 23617938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).