N-(1H-imidazol-5-ylmethyl)-2-methylaniline

C11H13N3 — CID 13178306

IUPACN-(1H-imidazol-5-ylmethyl)-2-methylaniline
SMILESCc1ccccc1NCc1cnc[nH]1
InChIInChI=1S/C11H13N3/c1-9-4-2-3-5-11(9)13-7-10-6-12-8-14-10/h2-6,8,13H,7H2,1H3,(H,12,14)
InChIKeyFDTGJDIQSWUTLR-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.33
Rot. Bonds3

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

N-(1H-imidazol-5-ylmethyl)-2-methylaniline (PubChem CID 13178306) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methylaniline
PubChem CID13178306
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methylaniline
SMILESCc1ccccc1NCc1cnc[nH]1
InChIInChI=1S/C11H13N3/c1-9-4-2-3-5-11(9)13-7-10-6-12-8-14-10/h2-6,8,13H,7H2,1H3,(H,12,14)
InChIKeyFDTGJDIQSWUTLR-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methylaniline (CID 13178306) is N-(1H-imidazol-5-ylmethyl)-2-methylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methylaniline is Cc1ccccc1NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
The InChIKey is FDTGJDIQSWUTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-4-2-3-5-11(9)13-7-10-6-12-8-14-10/h2-6,8,13H,7H2,1H3,(H,12,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methylaniline?
N-(1H-imidazol-5-ylmethyl)-2-methylaniline has a molecular weight of 187.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methylaniline is sourced from PubChem (CID 13178306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).