N-[(4-imidazol-1-ylphenyl)methyl]aniline

C16H15N3 — CID 43229289

IUPACN-[(4-imidazol-1-ylphenyl)methyl]aniline
SMILESc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H15N3/c1-2-4-15(5-3-1)18-12-14-6-8-16(9-7-14)19-11-10-17-13-19/h1-11,13,18H,12H2
InChIKeyDIHCPJNCOUDTMC-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.48
Rot. Bonds4

About N-[(4-imidazol-1-ylphenyl)methyl]aniline

N-[(4-imidazol-1-ylphenyl)methyl]aniline (PubChem CID 43229289) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]aniline
PubChem CID43229289
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]aniline
SMILESc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H15N3/c1-2-4-15(5-3-1)18-12-14-6-8-16(9-7-14)19-11-10-17-13-19/h1-11,13,18H,12H2
InChIKeyDIHCPJNCOUDTMC-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 78871095
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
CID 60931656
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
CID 75385215
3-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylaniline
CID 107630089

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]aniline?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]aniline (CID 43229289) is N-[(4-imidazol-1-ylphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]aniline?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]aniline is c1ccc(NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]aniline?
The InChIKey is DIHCPJNCOUDTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-4-15(5-3-1)18-12-14-6-8-16(9-7-14)19-11-10-17-13-19/h1-11,13,18H,12H2.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]aniline?
N-[(4-imidazol-1-ylphenyl)methyl]aniline has a molecular weight of 249.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43229289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).