5-methyl-1-piperidin-1-ylbenzimidazol-2-amine

C13H18N4 — CID 83019041

IUPAC5-methyl-1-piperidin-1-ylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2N1CCCCC1
InChIInChI=1S/C13H18N4/c1-10-5-6-12-11(9-10)15-13(14)17(12)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyMSPBKPHNZJBABN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.05
Rot. Bonds1

About 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine

5-methyl-1-piperidin-1-ylbenzimidazol-2-amine (PubChem CID 83019041) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-piperidin-1-ylbenzimidazol-2-amine
PubChem CID83019041
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-methyl-1-piperidin-1-ylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2N1CCCCC1
InChIInChI=1S/C13H18N4/c1-10-5-6-12-11(9-10)15-13(14)17(12)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15)
InChIKeyMSPBKPHNZJBABN-UHFFFAOYSA-N
XLogP2.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine?
The IUPAC name of 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine (CID 83019041) is 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2N1CCCCC1.
What is the InChIKey of 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine?
The InChIKey is MSPBKPHNZJBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-5-6-12-11(9-10)15-13(14)17(12)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H2,14,15).
What are the key properties of 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine?
5-methyl-1-piperidin-1-ylbenzimidazol-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-1-ylbenzimidazol-2-amine is sourced from PubChem (CID 83019041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).