N-(1H-imidazol-2-ylmethyl)-N-methylaniline

C11H13N3 — CID 59708955

IUPACN-(1H-imidazol-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C11H13N3/c1-14(9-11-12-7-8-13-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)
InChIKeyXRHRPVSOSDWQFB-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.05
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methylaniline

N-(1H-imidazol-2-ylmethyl)-N-methylaniline (PubChem CID 59708955) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methylaniline
PubChem CID59708955
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C11H13N3/c1-14(9-11-12-7-8-13-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)
InChIKeyXRHRPVSOSDWQFB-UHFFFAOYSA-N
XLogP2.05
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylaniline (CID 59708955) is N-(1H-imidazol-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methylaniline is CN(Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
The InChIKey is XRHRPVSOSDWQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14(9-11-12-7-8-13-11)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methylaniline?
N-(1H-imidazol-2-ylmethyl)-N-methylaniline has a molecular weight of 187.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 59708955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).