N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline

C17H17N3 — CID 6603723

IUPACN-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(CN(Cc2ncc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)
InChIKeyMKIKWCVTTNYSRM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.62
Rot. Bonds5

About N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline

N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline (PubChem CID 6603723) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
PubChem CID6603723
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(CN(Cc2ncc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19)
InChIKeyMKIKWCVTTNYSRM-UHFFFAOYSA-N
XLogP3.62
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzylaniline
CID 139071697
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
N-(3,3-difluoropent-4-enyl)-N-(1H-imidazol-2-ylmethyl)aniline
CID 160618320
N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 91213426
N,N-dibenzylpyridin-4-amine
CID 15006775
2-(2-phenylethyl)-1H-imidazole;hydrochloride
CID 67183879
N-(1H-imidazol-2-ylmethyl)-N-(3-methylbut-2-enyl)aniline;N-(1H-imidazol-2-ylmethyl)-N-(3-methylbutyl)aniline
CID 158910448
2-[4-amino-N-(1H-imidazol-2-ylmethyl)anilino]ethanol
CID 22486449
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
CID 59708993
acetonitrile;2-benzyl-1H-imidazole
CID 23033706
N-benzyl-N-propylaniline
CID 14671265
N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine
CID 22138631

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline (CID 6603723) is N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline is c1ccc(CN(Cc2ncc[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline?
The InChIKey is MKIKWCVTTNYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,18,19).
What are the key properties of N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline?
N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline has a molecular weight of 263.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 6603723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).