2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole

C15H21N3 — CID 63106528

IUPAC2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCCc1nc2ccccc2n1CC1CCCNC1
InChIInChI=1S/C15H21N3/c1-2-15-17-13-7-3-4-8-14(13)18(15)11-12-6-5-9-16-10-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyGYISWSDMODMUCB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds3

About 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole

2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 63106528) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
PubChem CID63106528
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCCc1nc2ccccc2n1CC1CCCNC1
InChIInChI=1S/C15H21N3/c1-2-15-17-13-7-3-4-8-14(13)18(15)11-12-6-5-9-16-10-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyGYISWSDMODMUCB-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149776
5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91447724
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525997
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
(8S)-N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 69248604
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole (CID 63106528) is 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole is CCc1nc2ccccc2n1CC1CCCNC1.
What is the InChIKey of 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is GYISWSDMODMUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-15-17-13-7-3-4-8-14(13)18(15)11-12-6-5-9-16-10-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3.
What are the key properties of 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole?
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 63106528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).