4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole

C13H13Cl2N3 — CID 168515848

IUPAC4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole
SMILESClc1ncn(-c2ccc(N3CCCC3)cc2)c1Cl
InChIInChI=1S/C13H13Cl2N3/c14-12-13(15)18(9-16-12)11-5-3-10(4-6-11)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyLRQMUKJIOIEANG-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.78
Rot. Bonds2

About 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole

4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole (PubChem CID 168515848) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole
PubChem CID168515848
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole
SMILESClc1ncn(-c2ccc(N3CCCC3)cc2)c1Cl
InChIInChI=1S/C13H13Cl2N3/c14-12-13(15)18(9-16-12)11-5-3-10(4-6-11)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyLRQMUKJIOIEANG-UHFFFAOYSA-N
XLogP3.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856886
2-chloro-5-pyrrolidin-1-ylpyridine
CID 82225005
1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571572
9-(4-chlorophenyl)-6-piperidin-1-ylpurine
CID 23730289
2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 58937020
2-chloro-5-pyrrolidin-1-ylpyrimidine
CID 84618258
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-pyrrolidin-1-ylpyridine
CID 158456628
2-(4-pyrrolidin-1-ylphenyl)triazole
CID 168515524
N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571578
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70938882

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole (CID 168515848) is 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole is Clc1ncn(-c2ccc(N3CCCC3)cc2)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole?
The InChIKey is LRQMUKJIOIEANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c14-12-13(15)18(9-16-12)11-5-3-10(4-6-11)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2.
What are the key properties of 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole?
4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole has a molecular weight of 282.17 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole is sourced from PubChem (CID 168515848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).