N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline

C12H15N3O — CID 59728031

IUPACN-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)Cc2cnc[nH]2)c1
InChIInChI=1S/C12H15N3O/c1-15(8-10-7-13-9-14-10)11-4-3-5-12(6-11)16-2/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeyQNEKLPIYQXJCTB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.05
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline

N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline (PubChem CID 59728031) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline
PubChem CID59728031
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline
SMILESCOc1cccc(N(C)Cc2cnc[nH]2)c1
InChIInChI=1S/C12H15N3O/c1-15(8-10-7-13-9-14-10)11-4-3-5-12(6-11)16-2/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeyQNEKLPIYQXJCTB-UHFFFAOYSA-N
XLogP2.05
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline (CID 59728031) is N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline is COc1cccc(N(C)Cc2cnc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline?
The InChIKey is QNEKLPIYQXJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15(8-10-7-13-9-14-10)11-4-3-5-12(6-11)16-2/h3-7,9H,8H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline?
N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline has a molecular weight of 217.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-methylaniline is sourced from PubChem (CID 59728031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).