1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine

C17H26N4 — CID 62507406

IUPAC1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCN1CCCC(n2c(C(C)C)nc3cc(N)ccc32)C1
InChIInChI=1S/C17H26N4/c1-4-20-9-5-6-14(11-20)21-16-8-7-13(18)10-15(16)19-17(21)12(2)3/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3
InChIKeyJJVSPQAYESMYAF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.40
Rot. Bonds3

About 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine

1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 62507406) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID62507406
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCCN1CCCC(n2c(C(C)C)nc3cc(N)ccc32)C1
InChIInChI=1S/C17H26N4/c1-4-20-9-5-6-14(11-20)21-16-8-7-13(18)10-15(16)19-17(21)12(2)3/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3
InChIKeyJJVSPQAYESMYAF-UHFFFAOYSA-N
XLogP3.40
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.40
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-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497047
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160
2-(1-chloroethyl)-1-(1-ethylpiperidin-3-yl)benzimidazole
CID 61478078
1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497929
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-(1-ethylpiperidin-3-yl)benzimidazol-2-amine
CID 61480058
[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol
CID 106364825
1-(2-methoxycyclopentyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506076
1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
CID 62506407
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182
1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 61478085

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine (CID 62507406) is 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine is CCN1CCCC(n2c(C(C)C)nc3cc(N)ccc32)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is JJVSPQAYESMYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-20-9-5-6-14(11-20)21-16-8-7-13(18)10-15(16)19-17(21)12(2)3/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine?
1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.40, 3 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)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62507406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).