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

C12H17N3 — CID 13123529

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline
SMILESCc1ccc(N(C)CC2=NCCN2)cc1
InChIInChI=1S/C12H17N3/c1-10-3-5-11(6-4-10)15(2)9-12-13-7-8-14-12/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyPMFDJWPQFXVNQB-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.43
Rot. Bonds3

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline (PubChem CID 13123529) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline
PubChem CID13123529
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline
SMILESCc1ccc(N(C)CC2=NCCN2)cc1
InChIInChI=1S/C12H17N3/c1-10-3-5-11(6-4-10)15(2)9-12-13-7-8-14-12/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyPMFDJWPQFXVNQB-UHFFFAOYSA-N
XLogP1.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline (CID 13123529) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline is Cc1ccc(N(C)CC2=NCCN2)cc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline?
The InChIKey is PMFDJWPQFXVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-3-5-11(6-4-10)15(2)9-12-13-7-8-14-12/h3-6H,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N,4-dimethylaniline has a molecular weight of 203.29 g/mol, XLogP of 1.43, 3 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)-N,4-dimethylaniline is sourced from PubChem (CID 13123529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).