4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole

C13H13BrN4 — CID 121434485

IUPAC4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole
SMILESCc1nn(C)c(C)c1-c1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C13H13BrN4/c1-7-12(8(2)18(3)17-7)9-4-10(14)13-11(5-9)15-6-16-13/h4-6H,1-3H3,(H,15,16)
InChIKeyUGNDITRVCKSABB-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.34
Rot. Bonds1

About 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole

4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole (PubChem CID 121434485) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole
PubChem CID121434485
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole
SMILESCc1nn(C)c(C)c1-c1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C13H13BrN4/c1-7-12(8(2)18(3)17-7)9-4-10(14)13-11(5-9)15-6-16-13/h4-6H,1-3H3,(H,15,16)
InChIKeyUGNDITRVCKSABB-UHFFFAOYSA-N
XLogP3.34
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
CID 121293088
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
6-[2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 177380779
4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
CID 102168707
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66297403
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163
3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293033
(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154534
N-methyl-1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-2-amine
CID 82540422
1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;ethane
CID 142357915
5,7-dimethyl-3H-imidazo[4,5-d]pyridazin-4-one;ethane
CID 145187400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole (CID 121434485) is 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole is Cc1nn(C)c(C)c1-c1cc(Br)c2nc[nH]c2c1.
What is the InChIKey of 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole?
The InChIKey is UGNDITRVCKSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c1-7-12(8(2)18(3)17-7)9-4-10(14)13-11(5-9)15-6-16-13/h4-6H,1-3H3,(H,15,16).
What are the key properties of 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole?
4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole has a molecular weight of 305.18 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 121434485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).