N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline

C17H19N3 — CID 13123525

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline
SMILESCc1ccc(N(CC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyWCBQXGCJOIWYPU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.13
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline (PubChem CID 13123525) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline
PubChem CID13123525
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline
SMILESCc1ccc(N(CC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H19N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyWCBQXGCJOIWYPU-UHFFFAOYSA-N
XLogP3.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline (CID 13123525) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline is Cc1ccc(N(CC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline?
The InChIKey is WCBQXGCJOIWYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline has a molecular weight of 265.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-N-phenylaniline is sourced from PubChem (CID 13123525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).