6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole

C15H20BrN3 — CID 84646013

IUPAC6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCc1cc(Br)cc2c1nc(CC1CCCCN1)n2C
InChIInChI=1S/C15H20BrN3/c1-10-7-11(16)8-13-15(10)18-14(19(13)2)9-12-5-3-4-6-17-12/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyCLOBGRCKJDBLJW-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.33
Rot. Bonds2

About 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole

6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole (PubChem CID 84646013) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
PubChem CID84646013
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCc1cc(Br)cc2c1nc(CC1CCCCN1)n2C
InChIInChI=1S/C15H20BrN3/c1-10-7-11(16)8-13-15(10)18-14(19(13)2)9-12-5-3-4-6-17-12/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyCLOBGRCKJDBLJW-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

5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646012
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84637903
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84639882
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117480393
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
The IUPAC name of 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole (CID 84646013) is 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole is Cc1cc(Br)cc2c1nc(CC1CCCCN1)n2C.
What is the InChIKey of 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
The InChIKey is CLOBGRCKJDBLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-7-11(16)8-13-15(10)18-14(19(13)2)9-12-5-3-4-6-17-12/h7-8,12,17H,3-6,9H2,1-2H3.
What are the key properties of 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole?
6-bromo-1,4-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 6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84646013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).