1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine

C16H24N4 — CID 62506407

IUPAC1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCN(C)C1
InChIInChI=1S/C16H24N4/c1-3-5-16-18-14-10-12(17)7-8-15(14)20(16)13-6-4-9-19(2)11-13/h7-8,10,13H,3-6,9,11,17H2,1-2H3
InChIKeyDDPUPRWAECFOCT-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.84
Rot. Bonds3

About 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine

1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine (PubChem CID 62506407) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
PubChem CID62506407
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1C1CCCN(C)C1
InChIInChI=1S/C16H24N4/c1-3-5-16-18-14-10-12(17)7-8-15(14)20(16)13-6-4-9-19(2)11-13/h7-8,10,13H,3-6,9,11,17H2,1-2H3
InChIKeyDDPUPRWAECFOCT-UHFFFAOYSA-N
XLogP2.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.84
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
1-(oxan-4-yl)-2-propylbenzimidazol-5-amine
CID 62506385
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
CID 114541143
1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62506569
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442
1-piperidin-1-yl-2-propylbenzimidazol-5-amine
CID 83025271
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine
CID 62508197
2-(chloromethyl)-5-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 54949887

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine (CID 62506407) is 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1C1CCCN(C)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine?
The InChIKey is DDPUPRWAECFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-5-16-18-14-10-12(17)7-8-15(14)20(16)13-6-4-9-19(2)11-13/h7-8,10,13H,3-6,9,11,17H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine?
1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 62506407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).