4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

C13H16ClN3 — CID 59728118

IUPAC4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCCN(Cc1nc[nH]c1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-3-17(8-13-10(2)15-9-16-13)12-6-4-11(14)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyIHZSWMNPJIHFCJ-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.40
Rot. Bonds4

About 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (PubChem CID 59728118) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
PubChem CID59728118
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCCN(Cc1nc[nH]c1C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3/c1-3-17(8-13-10(2)15-9-16-13)12-6-4-11(14)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKeyIHZSWMNPJIHFCJ-UHFFFAOYSA-N
XLogP3.40
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1H-benzimidazole
CID 78599
1-(4-Chlorophenyl)-1H-imidazole
CID 142859
(2,6-Dichloro-phenyl)-(1H-imidazol-2-yl)-amine
CID 10489502
1-(3,5-dichlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 9840258
1-(3-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10589625
N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(4-chlorophenyl)propanamide
CID 9928224
3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24771985
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948458
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylimidazolidin-2-one
CID 10563032
1-(2-chlorophenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10613497

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (CID 59728118) is 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is CCN(Cc1nc[nH]c1C)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The InChIKey is IHZSWMNPJIHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-17(8-13-10(2)15-9-16-13)12-6-4-11(14)5-7-12/h4-7,9H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline has a molecular weight of 249.75 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is sourced from PubChem (CID 59728118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).