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

C17H25N3 — CID 22989602

IUPAC2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCCCC1CCN(CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H25N3/c1-2-5-14-8-11-20(12-9-14)13-10-17-18-15-6-3-4-7-16(15)19-17/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,18,19)
InChIKeyUXPZRBWVADGYBB-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.62
Rot. Bonds5

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

2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 22989602) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
PubChem CID22989602
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCCCC1CCN(CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H25N3/c1-2-5-14-8-11-20(12-9-14)13-10-17-18-15-6-3-4-7-16(15)19-17/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,18,19)
InChIKeyUXPZRBWVADGYBB-UHFFFAOYSA-N
XLogP3.62
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
N-(1H-benzimidazol-2-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42519849
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-(6-cyclohexylhexyl)-1H-benzimidazole
CID 141189799
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
CID 126452336
2-docosyl-1H-benzimidazole
CID 141189761
2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 138032898
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole (CID 22989602) is 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole is CCCC1CCN(CCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is UXPZRBWVADGYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-5-14-8-11-20(12-9-14)13-10-17-18-15-6-3-4-7-16(15)19-17/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole?
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 22989602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).