4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole

C15H21N3O — CID 84637903

IUPAC4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCOc1cccc2c1nc(CC1CCCCN1)n2C
InChIInChI=1S/C15H21N3O/c1-18-12-7-5-8-13(19-2)15(12)17-14(18)10-11-6-3-4-9-16-11/h5,7-8,11,16H,3-4,6,9-10H2,1-2H3
InChIKeyBZXDMYBCFBUFMP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.27
Rot. Bonds3

About 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole

4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole (PubChem CID 84637903) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
PubChem CID84637903
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
SMILESCOc1cccc2c1nc(CC1CCCCN1)n2C
InChIInChI=1S/C15H21N3O/c1-18-12-7-5-8-13(19-2)15(12)17-14(18)10-11-6-3-4-9-16-11/h5,7-8,11,16H,3-4,6,9-10H2,1-2H3
InChIKeyBZXDMYBCFBUFMP-UHFFFAOYSA-N
XLogP2.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646013
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254731
methyl 8-methoxy-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254732
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
The IUPAC name of 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole (CID 84637903) is 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole is COc1cccc2c1nc(CC1CCCCN1)n2C.
What is the InChIKey of 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
The InChIKey is BZXDMYBCFBUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-12-7-5-8-13(19-2)15(12)17-14(18)10-11-6-3-4-9-16-11/h5,7-8,11,16H,3-4,6,9-10H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole?
4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole has a molecular weight of 259.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 84637903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).