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

C11H12ClN3 — CID 24946962

IUPAC3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-15(7-10-6-13-8-14-10)11-4-2-3-9(12)5-11/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyIIUBDHLOHUCRSC-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.70
Rot. Bonds3

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

3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (PubChem CID 24946962) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
PubChem CID24946962
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
SMILESCN(Cc1cnc[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c1-15(7-10-6-13-8-14-10)11-4-2-3-9(12)5-11/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyIIUBDHLOHUCRSC-UHFFFAOYSA-N
XLogP2.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The IUPAC name of 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline (CID 24946962) is 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline.
What is the SMILES notation for 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The canonical SMILES for 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline is CN(Cc1cnc[nH]1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
The InChIKey is IIUBDHLOHUCRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15(7-10-6-13-8-14-10)11-4-2-3-9(12)5-11/h2-6,8H,7H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline?
3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline has a molecular weight of 221.69 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline is sourced from PubChem (CID 24946962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).