5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole

C15H16BrClN4 — CID 106105762

IUPAC5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CCc1ccn(C)n1
InChIInChI=1S/C15H16BrClN4/c1-10(17)15-18-13-9-11(16)3-4-14(13)21(15)8-6-12-5-7-20(2)19-12/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyDSCHQWSZYYMLIH-UHFFFAOYSA-N
MW367.68 g/mol
LogP4.07
Rot. Bonds4

About 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole

5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole (PubChem CID 106105762) has the molecular formula C15H16BrClN4 and a molecular weight of 367.68 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
PubChem CID106105762
Molecular FormulaC15H16BrClN4
Molecular Weight367.68 g/mol
Exact Mass366.02
IUPAC Name5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CCc1ccn(C)n1
InChIInChI=1S/C15H16BrClN4/c1-10(17)15-18-13-9-11(16)3-4-14(13)21(15)8-6-12-5-7-20(2)19-12/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyDSCHQWSZYYMLIH-UHFFFAOYSA-N
XLogP4.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.68
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(1-chloroethyl)-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82873445
3-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420206
2-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63240277
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylethanamine
CID 62640923
5-bromo-2-(1-chloroethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79778425
1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
CID 106106443
2-(1-chloroethyl)-5-fluoro-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82874425
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620
N-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667677
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 63544857
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 82872876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole (CID 106105762) is 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole is CC(Cl)c1nc2cc(Br)ccc2n1CCc1ccn(C)n1.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The InChIKey is DSCHQWSZYYMLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4/c1-10(17)15-18-13-9-11(16)3-4-14(13)21(15)8-6-12-5-7-20(2)19-12/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole has a molecular weight of 367.68 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole is sourced from PubChem (CID 106105762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).