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

C11H15N3 — CID 13123527

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline
SMILESCc1ccc(NCC2=NCCN2)cc1
InChIInChI=1S/C11H15N3/c1-9-2-4-10(5-3-9)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
InChIKeyDUWYZPORHIKSDF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.41
Rot. Bonds3

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline (PubChem CID 13123527) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline
PubChem CID13123527
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline
SMILESCc1ccc(NCC2=NCCN2)cc1
InChIInChI=1S/C11H15N3/c1-9-2-4-10(5-3-9)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
InChIKeyDUWYZPORHIKSDF-UHFFFAOYSA-N
XLogP1.41
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
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-methylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline (CID 13123527) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline is Cc1ccc(NCC2=NCCN2)cc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline?
The InChIKey is DUWYZPORHIKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9-2-4-10(5-3-9)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline has a molecular weight of 189.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 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-methylaniline is sourced from PubChem (CID 13123527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).