3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline

C22H19ClN4 — CID 54208011

IUPAC3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C22H19ClN4/c1-13-3-8-18(24)14(2)19(13)22-26-20(15-4-6-17(23)7-5-15)21(27-22)16-9-11-25-12-10-16/h3-12H,24H2,1-2H3,(H,26,27)
InChIKeyPTXNNCMWALSNOP-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.66
Rot. Bonds3

About 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline

3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline (PubChem CID 54208011) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline
PubChem CID54208011
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C22H19ClN4/c1-13-3-8-18(24)14(2)19(13)22-26-20(15-4-6-17(23)7-5-15)21(27-22)16-9-11-25-12-10-16/h3-12H,24H2,1-2H3,(H,26,27)
InChIKeyPTXNNCMWALSNOP-UHFFFAOYSA-N
XLogP5.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline?
The IUPAC name of 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline (CID 54208011) is 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline?
The canonical SMILES for 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline is Cc1ccc(N)c(C)c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline?
The InChIKey is PTXNNCMWALSNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c1-13-3-8-18(24)14(2)19(13)22-26-20(15-4-6-17(23)7-5-15)21(27-22)16-9-11-25-12-10-16/h3-12H,24H2,1-2H3,(H,26,27).
What are the key properties of 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline?
3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline has a molecular weight of 374.88 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,4-dimethylaniline is sourced from PubChem (CID 54208011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).