1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine

C14H20N4 — CID 61480058

IUPAC1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
SMILESCCN1CCCC(n2c(N)nc3ccccc32)C1
InChIInChI=1S/C14H20N4/c1-2-17-9-5-6-11(10-17)18-13-8-4-3-7-12(13)16-14(18)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,15,16)
InChIKeyPXGBCXMDNLRKTN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.28
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine

1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine (PubChem CID 61480058) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
PubChem CID61480058
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
SMILESCCN1CCCC(n2c(N)nc3ccccc32)C1
InChIInChI=1S/C14H20N4/c1-2-17-9-5-6-11(10-17)18-13-8-4-3-7-12(13)16-14(18)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,15,16)
InChIKeyPXGBCXMDNLRKTN-UHFFFAOYSA-N
XLogP2.28
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine (CID 61480058) is 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine is CCN1CCCC(n2c(N)nc3ccccc32)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine?
The InChIKey is PXGBCXMDNLRKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-17-9-5-6-11(10-17)18-13-8-4-3-7-12(13)16-14(18)15/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,15,16).
What are the key properties of 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine?
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 61480058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).