4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole

C15H16Cl2N4 — CID 58669505

IUPAC4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole
SMILESCCCCn1c(-c2c(C)ccc3[nH]ncc23)nc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N4/c1-3-4-7-21-14(17)13(16)19-15(21)12-9(2)5-6-11-10(12)8-18-20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyMPVAHUXOGJKQDJ-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.84
Rot. Bonds4

About 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole

4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole (PubChem CID 58669505) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole.

Molecular Properties

Compound Name4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole
PubChem CID58669505
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole
SMILESCCCCn1c(-c2c(C)ccc3[nH]ncc23)nc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N4/c1-3-4-7-21-14(17)13(16)19-15(21)12-9(2)5-6-11-10(12)8-18-20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyMPVAHUXOGJKQDJ-UHFFFAOYSA-N
XLogP4.84
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole?
The IUPAC name of 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole (CID 58669505) is 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole.
What is the SMILES notation for 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole?
The canonical SMILES for 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole is CCCCn1c(-c2c(C)ccc3[nH]ncc23)nc(Cl)c1Cl.
What is the InChIKey of 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole?
The InChIKey is MPVAHUXOGJKQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-3-4-7-21-14(17)13(16)19-15(21)12-9(2)5-6-11-10(12)8-18-20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,20).
What are the key properties of 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole?
4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole has a molecular weight of 323.23 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole is sourced from PubChem (CID 58669505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).