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

C11H13N3 — CID 70250934

IUPACN-(imidazol-1-ylmethyl)-2-methylaniline
SMILESCc1ccccc1NCn1ccnc1
InChIInChI=1S/C11H13N3/c1-10-4-2-3-5-11(10)13-9-14-7-6-12-8-14/h2-8,13H,9H2,1H3
InChIKeyLOXIIAKYNWMEEE-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.26
Rot. Bonds3

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

N-(imidazol-1-ylmethyl)-2-methylaniline (PubChem CID 70250934) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(imidazol-1-ylmethyl)-2-methylaniline.

Molecular Properties

Compound NameN-(imidazol-1-ylmethyl)-2-methylaniline
PubChem CID70250934
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(imidazol-1-ylmethyl)-2-methylaniline
SMILESCc1ccccc1NCn1ccnc1
InChIInChI=1S/C11H13N3/c1-10-4-2-3-5-11(10)13-9-14-7-6-12-8-14/h2-8,13H,9H2,1H3
InChIKeyLOXIIAKYNWMEEE-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(imidazol-1-ylmethyl)-2-methylaniline?
The IUPAC name of N-(imidazol-1-ylmethyl)-2-methylaniline (CID 70250934) is N-(imidazol-1-ylmethyl)-2-methylaniline.
What is the SMILES notation for N-(imidazol-1-ylmethyl)-2-methylaniline?
The canonical SMILES for N-(imidazol-1-ylmethyl)-2-methylaniline is Cc1ccccc1NCn1ccnc1.
What is the InChIKey of N-(imidazol-1-ylmethyl)-2-methylaniline?
The InChIKey is LOXIIAKYNWMEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-10-4-2-3-5-11(10)13-9-14-7-6-12-8-14/h2-8,13H,9H2,1H3.
What are the key properties of N-(imidazol-1-ylmethyl)-2-methylaniline?
N-(imidazol-1-ylmethyl)-2-methylaniline has a molecular weight of 187.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazol-1-ylmethyl)-2-methylaniline is sourced from PubChem (CID 70250934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).