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

C15H20BrN3 — CID 84646012

IUPAC5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCc1cc(Br)cc2nc(CC3CCCCN3)n(C)c12
InChIInChI=1S/C15H20BrN3/c1-10-7-11(16)8-13-15(10)19(2)14(18-13)9-12-5-3-4-6-17-12/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyBNHBCVAACMPXJQ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.33
Rot. Bonds2

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

5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole (PubChem CID 84646012) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
PubChem CID84646012
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCc1cc(Br)cc2nc(CC3CCCCN3)n(C)c12
InChIInChI=1S/C15H20BrN3/c1-10-7-11(16)8-13-15(10)19(2)14(18-13)9-12-5-3-4-6-17-12/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyBNHBCVAACMPXJQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646013
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84639882
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84636819
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
CID 84631010
3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163804
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
The IUPAC name of 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole (CID 84646012) is 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole is Cc1cc(Br)cc2nc(CC3CCCCN3)n(C)c12.
What is the InChIKey of 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
The InChIKey is BNHBCVAACMPXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-7-11(16)8-13-15(10)19(2)14(18-13)9-12-5-3-4-6-17-12/h7-8,12,17H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole has a molecular weight of 322.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84646012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).