2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole

C15H21N3 — CID 22989655

IUPAC2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCC1CCN(CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H21N3/c1-12-6-9-18(10-7-12)11-8-15-16-13-4-2-3-5-14(13)17-15/h2-5,12H,6-11H2,1H3,(H,16,17)
InChIKeyMIVYGARWDRAXLP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.84
Rot. Bonds3

About 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole

2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 22989655) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
PubChem CID22989655
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCC1CCN(CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H21N3/c1-12-6-9-18(10-7-12)11-8-15-16-13-4-2-3-5-14(13)17-15/h2-5,12H,6-11H2,1H3,(H,16,17)
InChIKeyMIVYGARWDRAXLP-UHFFFAOYSA-N
XLogP2.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzimidazole
CID 5798
2-Aminobenzimidazole
CID 13624
Glasdegib
CID 25166913
Lerisetron
CID 65997
Bendazol
CID 12132
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
1-(1H-Benzimidazol-2-yl)ethanone
CID 70322
Tecastemizole
CID 123618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole (CID 22989655) is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole is CC1CCN(CCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is MIVYGARWDRAXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-6-9-18(10-7-12)11-8-15-16-13-4-2-3-5-14(13)17-15/h2-5,12H,6-11H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 22989655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).