N-(1H-imidazol-5-ylmethyl)-N-phenylaniline

C16H15N3 — CID 59728125

IUPACN-(1H-imidazol-5-ylmethyl)-N-phenylaniline
SMILESc1ccc(N(Cc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C16H15N3/c1-3-7-15(8-4-1)19(12-14-11-17-13-18-14)16-9-5-2-6-10-16/h1-11,13H,12H2,(H,17,18)
InChIKeyRBMRXSZSDPYCHD-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.75
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-N-phenylaniline

N-(1H-imidazol-5-ylmethyl)-N-phenylaniline (PubChem CID 59728125) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-phenylaniline
PubChem CID59728125
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-phenylaniline
SMILESc1ccc(N(Cc2cnc[nH]2)c2ccccc2)cc1
InChIInChI=1S/C16H15N3/c1-3-7-15(8-4-1)19(12-14-11-17-13-18-14)16-9-5-2-6-10-16/h1-11,13H,12H2,(H,17,18)
InChIKeyRBMRXSZSDPYCHD-UHFFFAOYSA-N
XLogP3.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)ethanamine;dihydrochloride
CID 22335194
N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline
CID 59728067
N'-benzyl-N'-(1H-imidazol-5-ylmethyl)propane-1,3-diamine
CID 107367343
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 167225964
N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline
CID 59728086
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-methylaniline
CID 59728042
4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24947146
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
5-[3,3-bis(2-methylphenyl)propyl]-1H-imidazole;hydrochloride
CID 14535975

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-phenylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-phenylaniline (CID 59728125) is N-(1H-imidazol-5-ylmethyl)-N-phenylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-phenylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-phenylaniline is c1ccc(N(Cc2cnc[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-phenylaniline?
The InChIKey is RBMRXSZSDPYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-3-7-15(8-4-1)19(12-14-11-17-13-18-14)16-9-5-2-6-10-16/h1-11,13H,12H2,(H,17,18).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-phenylaniline?
N-(1H-imidazol-5-ylmethyl)-N-phenylaniline has a molecular weight of 249.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-phenylaniline is sourced from PubChem (CID 59728125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).