2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole

C15H21N3 — CID 116925567

IUPAC2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
SMILESCc1nc2ccc(CCC3CCCCN3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-11-17-14-8-6-12(10-15(14)18-11)5-7-13-4-2-3-9-16-13/h6,8,10,13,16H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyBDWRBYXXFKOCQK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.95
Rot. Bonds3

About 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole

2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole (PubChem CID 116925567) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
PubChem CID116925567
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
SMILESCc1nc2ccc(CCC3CCCCN3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-11-17-14-8-6-12(10-15(14)18-11)5-7-13-4-2-3-9-16-13/h6,8,10,13,16H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyBDWRBYXXFKOCQK-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
CID 117431689
2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103
6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
CID 55126511
2-(2-pyridin-4-ylethyl)azepane
CID 104703875
2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine
CID 79540408
2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209022
2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid
CID 90686795
6-(2-piperidin-2-ylethoxy)-2-propyl-1H-benzimidazole
CID 84816302
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 82497430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole (CID 116925567) is 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole is Cc1nc2ccc(CCC3CCCCN3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole?
The InChIKey is BDWRBYXXFKOCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-17-14-8-6-12(10-15(14)18-11)5-7-13-4-2-3-9-16-13/h6,8,10,13,16H,2-5,7,9H2,1H3,(H,17,18).
What are the key properties of 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole?
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 116925567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).