7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole

C14H19BrN4 — CID 84646092

IUPAC7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
SMILESCc1cc(Br)c2c(c1)nc(CN1CCNCC1)n2C
InChIInChI=1S/C14H19BrN4/c1-10-7-11(15)14-12(8-10)17-13(18(14)2)9-19-5-3-16-4-6-19/h7-8,16H,3-6,9H2,1-2H3
InChIKeyJNKXVQPQEIQMAB-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.05
Rot. Bonds2

About 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole

7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole (PubChem CID 84646092) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
PubChem CID84646092
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole
SMILESCc1cc(Br)c2c(c1)nc(CN1CCNCC1)n2C
InChIInChI=1S/C14H19BrN4/c1-10-7-11(15)14-12(8-10)17-13(18(14)2)9-19-5-3-16-4-6-19/h7-8,16H,3-6,9H2,1-2H3
InChIKeyJNKXVQPQEIQMAB-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazole
CID 84640134
3-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propanoic acid
CID 84644355
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
1-bromo-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117246928
2-[2-(1,4-diazepan-1-ylmethyl)-5-methylbenzimidazol-1-yl]ethanamine
CID 82310634
1-[(2-bromo-4,5-dimethylphenyl)methyl]piperazine
CID 82553993
1-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]methyl]piperazine
CID 96668613
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383
5-methyl-2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 62309454
1-methyl-2-(piperazin-1-ylmethyl)imidazol-4-amine
CID 117187169

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole?
The IUPAC name of 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole (CID 84646092) is 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole?
The canonical SMILES for 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole is Cc1cc(Br)c2c(c1)nc(CN1CCNCC1)n2C.
What is the InChIKey of 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole?
The InChIKey is JNKXVQPQEIQMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-10-7-11(15)14-12(8-10)17-13(18(14)2)9-19-5-3-16-4-6-19/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole?
7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole has a molecular weight of 323.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,5-dimethyl-2-(piperazin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 84646092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).