3-imidazol-1-yl-N-(2-phenylethyl)aniline

C17H17N3 — CID 43678331

IUPAC3-imidazol-1-yl-N-(2-phenylethyl)aniline
SMILESc1ccc(CCNc2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C17H17N3/c1-2-5-15(6-3-1)9-10-19-16-7-4-8-17(13-16)20-12-11-18-14-20/h1-8,11-14,19H,9-10H2
InChIKeyCFPZKMUVUROFGK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.53
Rot. Bonds5

About 3-imidazol-1-yl-N-(2-phenylethyl)aniline

3-imidazol-1-yl-N-(2-phenylethyl)aniline (PubChem CID 43678331) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(2-phenylethyl)aniline
PubChem CID43678331
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-imidazol-1-yl-N-(2-phenylethyl)aniline
SMILESc1ccc(CCNc2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C17H17N3/c1-2-5-15(6-3-1)9-10-19-16-7-4-8-17(13-16)20-12-11-18-14-20/h1-8,11-14,19H,9-10H2
InChIKeyCFPZKMUVUROFGK-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Trim
CID 1359
3-(1H-Imidazol-1-ylmethyl)aniline
CID 6481821
4-(1H-imidazol-1-yl)aniline
CID 320165
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CID 12002825
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
2,4-Disubstituted Pyrimidine 4b
CID 5329431
2,4-Disubstituted Pyrimidine 4c
CID 5329432
2,4-Disubstituted Pyrimidine 5h
CID 5329443

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(2-phenylethyl)aniline?
The IUPAC name of 3-imidazol-1-yl-N-(2-phenylethyl)aniline (CID 43678331) is 3-imidazol-1-yl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-imidazol-1-yl-N-(2-phenylethyl)aniline is c1ccc(CCNc2cccc(-n3ccnc3)c2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-(2-phenylethyl)aniline?
The InChIKey is CFPZKMUVUROFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-5-15(6-3-1)9-10-19-16-7-4-8-17(13-16)20-12-11-18-14-20/h1-8,11-14,19H,9-10H2.
What are the key properties of 3-imidazol-1-yl-N-(2-phenylethyl)aniline?
3-imidazol-1-yl-N-(2-phenylethyl)aniline has a molecular weight of 263.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 43678331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).