1-(4-chlorophenyl)imidazol-2-amine

C9H8ClN3 — CID 106558475

IUPAC1-(4-chlorophenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3/c10-7-1-3-8(4-2-7)13-6-5-12-9(13)11/h1-6H,(H2,11,12)
InChIKeyBUGLCESIFAYFDJ-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.11
Rot. Bonds1

About 1-(4-chlorophenyl)imidazol-2-amine

1-(4-chlorophenyl)imidazol-2-amine (PubChem CID 106558475) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)imidazol-2-amine
PubChem CID106558475
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name1-(4-chlorophenyl)imidazol-2-amine
SMILESNc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3/c10-7-1-3-8(4-2-7)13-6-5-12-9(13)11/h1-6H,(H2,11,12)
InChIKeyBUGLCESIFAYFDJ-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)imidazol-2-amine
CID 106558369
1-(4-fluoro-3-methylphenyl)imidazol-2-amine
CID 106570575
[1-(4-chlorophenyl)imidazol-2-yl]methanamine
CID 67564899
1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571572
1-(4-chlorophenyl)-2-methylsulfonylimidazole
CID 82132275
4-(2-aminoimidazol-1-yl)benzoic acid
CID 22628105
1-(4-chloro-2-iodophenyl)imidazol-2-amine
CID 107628322
1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
CID 83890401
1-(4-methyl-3-phenylphenyl)imidazol-2-amine
CID 175242078
1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine
CID 142479985
[1-(3-chloro-4-fluorophenyl)imidazol-2-yl]methanamine
CID 82287676
1-(2-chloro-5-methylphenyl)imidazol-2-amine
CID 107628162

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)imidazol-2-amine?
The IUPAC name of 1-(4-chlorophenyl)imidazol-2-amine (CID 106558475) is 1-(4-chlorophenyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)imidazol-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)imidazol-2-amine is Nc1nccn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)imidazol-2-amine?
The InChIKey is BUGLCESIFAYFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-7-1-3-8(4-2-7)13-6-5-12-9(13)11/h1-6H,(H2,11,12).
What are the key properties of 1-(4-chlorophenyl)imidazol-2-amine?
1-(4-chlorophenyl)imidazol-2-amine has a molecular weight of 193.64 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)imidazol-2-amine is sourced from PubChem (CID 106558475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).