1-piperidin-4-yl-2-propylbenzimidazole

C15H21N3 — CID 82063740

IUPAC1-piperidin-4-yl-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1C1CCNCC1
InChIInChI=1S/C15H21N3/c1-2-5-15-17-13-6-3-4-7-14(13)18(15)12-8-10-16-11-9-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyDODVMTJUHLMUCO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.91
Rot. Bonds3

About 1-piperidin-4-yl-2-propylbenzimidazole

1-piperidin-4-yl-2-propylbenzimidazole (PubChem CID 82063740) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-piperidin-4-yl-2-propylbenzimidazole.

Molecular Properties

Compound Name1-piperidin-4-yl-2-propylbenzimidazole
PubChem CID82063740
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-piperidin-4-yl-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1C1CCNCC1
InChIInChI=1S/C15H21N3/c1-2-5-15-17-13-6-3-4-7-14(13)18(15)12-8-10-16-11-9-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3
InChIKeyDODVMTJUHLMUCO-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
CID 63870232
1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
3-(2-propylbenzimidazol-1-yl)thiolane 1,1-dioxide
CID 116626981
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
2-(2-chloroethyl)-1-(4-methylcyclohexyl)benzimidazole
CID 43666622
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
2-phenyl-1-piperidin-4-ylbenzimidazole
CID 21222159
2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole
CID 82146101
N-ethyl-2-(2-propylbenzimidazol-1-yl)cyclopentan-1-amine
CID 115970696
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970701
6-naphthalen-2-yl-3-piperidin-4-yl-2-propylimidazo[4,5-b]pyridine
CID 57425348

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2-propylbenzimidazole?
The IUPAC name of 1-piperidin-4-yl-2-propylbenzimidazole (CID 82063740) is 1-piperidin-4-yl-2-propylbenzimidazole.
What is the SMILES notation for 1-piperidin-4-yl-2-propylbenzimidazole?
The canonical SMILES for 1-piperidin-4-yl-2-propylbenzimidazole is CCCc1nc2ccccc2n1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-2-propylbenzimidazole?
The InChIKey is DODVMTJUHLMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-5-15-17-13-6-3-4-7-14(13)18(15)12-8-10-16-11-9-12/h3-4,6-7,12,16H,2,5,8-11H2,1H3.
What are the key properties of 1-piperidin-4-yl-2-propylbenzimidazole?
1-piperidin-4-yl-2-propylbenzimidazole has a molecular weight of 243.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2-propylbenzimidazole is sourced from PubChem (CID 82063740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).