2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline

C17H16ClN3 — CID 62565112

IUPAC2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline
SMILESClc1ccccc1NCCn1ccnc1-c1ccccc1
InChIInChI=1S/C17H16ClN3/c18-15-8-4-5-9-16(15)19-10-12-21-13-11-20-17(21)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2
InChIKeyOIZPJMAVUVMEHV-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.32
Rot. Bonds5

About 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline

2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline (PubChem CID 62565112) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline
PubChem CID62565112
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline
SMILESClc1ccccc1NCCn1ccnc1-c1ccccc1
InChIInChI=1S/C17H16ClN3/c18-15-8-4-5-9-16(15)19-10-12-21-13-11-20-17(21)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2
InChIKeyOIZPJMAVUVMEHV-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
CID 55088185
3-chloro-2-fluoro-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54961505
1-but-3-ynyl-2-phenylimidazole
CID 55249657
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
2-chloro-N-(2-indol-1-ylethyl)aniline
CID 55195314
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
N-[2-(2-phenylimidazol-1-yl)ethyl]oxan-4-amine
CID 63098127
5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline (CID 62565112) is 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline is Clc1ccccc1NCCn1ccnc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline?
The InChIKey is OIZPJMAVUVMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-15-8-4-5-9-16(15)19-10-12-21-13-11-20-17(21)14-6-2-1-3-7-14/h1-9,11,13,19H,10,12H2.
What are the key properties of 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline?
2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline has a molecular weight of 297.79 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-phenylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62565112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).