2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole

C18H27N3 — CID 81050071

IUPAC2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
SMILESCCCn1c(CC(C)C2CCCNC2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-11-21-17-9-5-4-8-16(17)20-18(21)12-14(2)15-7-6-10-19-13-15/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3
InChIKeyJGHXCTAWMXMPDU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole

2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole (PubChem CID 81050071) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
PubChem CID81050071
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
SMILESCCCn1c(CC(C)C2CCCNC2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-11-21-17-9-5-4-8-16(17)20-18(21)12-14(2)15-7-6-10-19-13-15/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3
InChIKeyJGHXCTAWMXMPDU-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049
N-(1-ethylbenzimidazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119678519
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119872621

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole?
The IUPAC name of 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole (CID 81050071) is 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole?
The canonical SMILES for 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole is CCCn1c(CC(C)C2CCCNC2)nc2ccccc21.
What is the InChIKey of 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole?
The InChIKey is JGHXCTAWMXMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-11-21-17-9-5-4-8-16(17)20-18(21)12-14(2)15-7-6-10-19-13-15/h4-5,8-9,14-15,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole?
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole has a molecular weight of 285.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole is sourced from PubChem (CID 81050071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).