1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole

C14H13ClN4 — CID 3007432

IUPAC1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole
SMILESCC(c1ccc(Cl)cc1)(n1ccnc1)n1ccnc1
InChIInChI=1S/C14H13ClN4/c1-14(18-8-6-16-10-18,19-9-7-17-11-19)12-2-4-13(15)5-3-12/h2-11H,1H3
InChIKeyQNJXAJNFMCWMSL-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.00
Rot. Bonds3

About 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole

1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole (PubChem CID 3007432) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole
PubChem CID3007432
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole
SMILESCC(c1ccc(Cl)cc1)(n1ccnc1)n1ccnc1
InChIInChI=1S/C14H13ClN4/c1-14(18-8-6-16-10-18,19-9-7-17-11-19)12-2-4-13(15)5-3-12/h2-11H,1H3
InChIKeyQNJXAJNFMCWMSL-UHFFFAOYSA-N
XLogP3.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole?
The IUPAC name of 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole (CID 3007432) is 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole is CC(c1ccc(Cl)cc1)(n1ccnc1)n1ccnc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole?
The InChIKey is QNJXAJNFMCWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-14(18-8-6-16-10-18,19-9-7-17-11-19)12-2-4-13(15)5-3-12/h2-11H,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole?
1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole has a molecular weight of 272.74 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole is sourced from PubChem (CID 3007432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).