1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole

C15H17BrN4 — CID 107085724

IUPAC1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3c(CBr)c(C)nn3C)c2cc1C
InChIInChI=1S/C15H17BrN4/c1-9-5-13-14(6-10(9)2)20(8-17-13)15-12(7-16)11(3)18-19(15)4/h5-6,8H,7H2,1-4H3
InChIKeyJKWGYGKXFXXLIF-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.58
Rot. Bonds2

About 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole

1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole (PubChem CID 107085724) has the molecular formula C15H17BrN4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole
PubChem CID107085724
Molecular FormulaC15H17BrN4
Molecular Weight333.23 g/mol
Exact Mass332.06
IUPAC Name1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3c(CBr)c(C)nn3C)c2cc1C
InChIInChI=1S/C15H17BrN4/c1-9-5-13-14(6-10(9)2)20(8-17-13)15-12(7-16)11(3)18-19(15)4/h5-6,8H,7H2,1-4H3
InChIKeyJKWGYGKXFXXLIF-UHFFFAOYSA-N
XLogP3.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5,6-dimethylbenzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554356
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
5-(azetidin-1-yl)-4-(bromomethyl)-1,3-dimethylpyrazole
CID 130547741
1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole
CID 107085713
2-[4-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]pyrimidine
CID 107079291
1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole
CID 64995120
5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554355
4-(bromomethyl)-5-(3,3-dimethylazetidin-1-yl)-1,3-dimethylpyrazole
CID 130691382
1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
CID 134862242
6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine
CID 80853057
4-(bromomethyl)-5-(4-chloropyrazol-1-yl)-1,3-dimethylpyrazole
CID 107085845
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole
CID 115582509

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole (CID 107085724) is 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(-c3c(CBr)c(C)nn3C)c2cc1C.
What is the InChIKey of 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole?
The InChIKey is JKWGYGKXFXXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4/c1-9-5-13-14(6-10(9)2)20(8-17-13)15-12(7-16)11(3)18-19(15)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole?
1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole has a molecular weight of 333.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 107085724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).