N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline

C18H21N3 — CID 145214361

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(CC2=NCCN2)c2ccccc2)cc1C
InChIInChI=1S/C18H21N3/c1-14-8-9-17(12-15(14)2)21(13-18-19-10-11-20-18)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyCNHVFHPRTGLUBD-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.44
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline (PubChem CID 145214361) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline
PubChem CID145214361
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(CC2=NCCN2)c2ccccc2)cc1C
InChIInChI=1S/C18H21N3/c1-14-8-9-17(12-15(14)2)21(13-18-19-10-11-20-18)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyCNHVFHPRTGLUBD-UHFFFAOYSA-N
XLogP3.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.44
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)-3,4-dimethyl-N-phenylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline (CID 145214361) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline is Cc1ccc(N(CC2=NCCN2)c2ccccc2)cc1C.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline?
The InChIKey is CNHVFHPRTGLUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14-8-9-17(12-15(14)2)21(13-18-19-10-11-20-18)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3,4-dimethyl-N-phenylaniline has a molecular weight of 279.39 g/mol, XLogP of 3.44, 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)-3,4-dimethyl-N-phenylaniline is sourced from PubChem (CID 145214361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).