3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline

C13H10ClN5 — CID 105370266

IUPAC3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline
SMILESNc1cccc(-c2nccn2-c2ncncc2Cl)c1
InChIInChI=1S/C13H10ClN5/c14-11-7-16-8-18-13(11)19-5-4-17-12(19)9-2-1-3-10(15)6-9/h1-8H,15H2
InChIKeyYBPRSWAMQKKLEC-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.56
Rot. Bonds2

About 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline

3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline (PubChem CID 105370266) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline
PubChem CID105370266
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline
SMILESNc1cccc(-c2nccn2-c2ncncc2Cl)c1
InChIInChI=1S/C13H10ClN5/c14-11-7-16-8-18-13(11)19-5-4-17-12(19)9-2-1-3-10(15)6-9/h1-8H,15H2
InChIKeyYBPRSWAMQKKLEC-UHFFFAOYSA-N
XLogP2.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3,6-dimethylpyrazin-2-yl)imidazol-2-yl]aniline
CID 61176241
4-[1-(5-bromopyrimidin-4-yl)imidazol-2-yl]aniline
CID 66319292
3-[1-(5-methyl-2-pyridinyl)imidazol-2-yl]aniline
CID 61176606
3-[2-(3-aminophenyl)imidazol-1-yl]pyrazine-2-carboxamide
CID 62685335
3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline
CID 61176601
4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979919
6-[2-(3-aminophenyl)imidazol-1-yl]pyridine-2-carbonitrile
CID 64589204
3-pyrimidin-5-ylaniline
CID 7162049
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
4-[2-(3-aminophenyl)imidazol-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136979916
3-(1-butylimidazol-2-yl)aniline
CID 60813678

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline?
The IUPAC name of 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline (CID 105370266) is 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline is Nc1cccc(-c2nccn2-c2ncncc2Cl)c1.
What is the InChIKey of 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline?
The InChIKey is YBPRSWAMQKKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-11-7-16-8-18-13(11)19-5-4-17-12(19)9-2-1-3-10(15)6-9/h1-8H,15H2.
What are the key properties of 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline?
3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline has a molecular weight of 271.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloropyrimidin-4-yl)imidazol-2-yl]aniline is sourced from PubChem (CID 105370266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).