1-piperidin-1-yl-2-propylbenzimidazol-5-amine

C15H22N4 — CID 83025271

IUPAC1-piperidin-1-yl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1N1CCCCC1
InChIInChI=1S/C15H22N4/c1-2-6-15-17-13-11-12(16)7-8-14(13)19(15)18-9-4-3-5-10-18/h7-8,11H,2-6,9-10,16H2,1H3
InChIKeyNJRGEJIBXWUNMR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.69
Rot. Bonds3

About 1-piperidin-1-yl-2-propylbenzimidazol-5-amine

1-piperidin-1-yl-2-propylbenzimidazol-5-amine (PubChem CID 83025271) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-2-propylbenzimidazol-5-amine
PubChem CID83025271
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-piperidin-1-yl-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1N1CCCCC1
InChIInChI=1S/C15H22N4/c1-2-6-15-17-13-11-12(16)7-8-14(13)19(15)18-9-4-3-5-10-18/h7-8,11H,2-6,9-10,16H2,1H3
InChIKeyNJRGEJIBXWUNMR-UHFFFAOYSA-N
XLogP2.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
2-propyl-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-5-amine
CID 62508563
[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol
CID 83024690
1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
CID 62506407
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
5-methyl-1-piperidin-1-ylbenzimidazol-2-amine
CID 83019041
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
CID 63496687
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-piperidin-1-yl-2-propylbenzimidazol-5-amine (CID 83025271) is 1-piperidin-1-yl-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-piperidin-1-yl-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-piperidin-1-yl-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-propylbenzimidazol-5-amine?
The InChIKey is NJRGEJIBXWUNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-6-15-17-13-11-12(16)7-8-14(13)19(15)18-9-4-3-5-10-18/h7-8,11H,2-6,9-10,16H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-propylbenzimidazol-5-amine?
1-piperidin-1-yl-2-propylbenzimidazol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 83025271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).