2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole

C18H15BrN4 — CID 71940204

IUPAC2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole
SMILESCn1c(-c2cnn(Cc3ccccc3)c2)nc2cc(Br)ccc21
InChIInChI=1S/C18H15BrN4/c1-22-17-8-7-15(19)9-16(17)21-18(22)14-10-20-23(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyQEXXFGCHSUBLOJ-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.25
Rot. Bonds3

About 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole

2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole (PubChem CID 71940204) has the molecular formula C18H15BrN4 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole
PubChem CID71940204
Molecular FormulaC18H15BrN4
Molecular Weight367.25 g/mol
Exact Mass366.05
IUPAC Name2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole
SMILESCn1c(-c2cnn(Cc3ccccc3)c2)nc2cc(Br)ccc21
InChIInChI=1S/C18H15BrN4/c1-22-17-8-7-15(19)9-16(17)21-18(22)14-10-20-23(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyQEXXFGCHSUBLOJ-UHFFFAOYSA-N
XLogP4.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole (CID 71940204) is 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole is Cn1c(-c2cnn(Cc3ccccc3)c2)nc2cc(Br)ccc21.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole?
The InChIKey is QEXXFGCHSUBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4/c1-22-17-8-7-15(19)9-16(17)21-18(22)14-10-20-23(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole?
2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole has a molecular weight of 367.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)-5-bromo-1-methylbenzimidazole is sourced from PubChem (CID 71940204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).