2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine

C17H26N4 — CID 114592217

IUPAC2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine
SMILESCC1CC(C)C(C)N(CCc2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C17H26N4/c1-11-8-12(2)13(3)21(10-11)7-6-17-19-15-5-4-14(18)9-16(15)20-17/h4-5,9,11-13H,6-8,10,18H2,1-3H3,(H,19,20)
InChIKeyPQHQVXHJAPADGW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds3

About 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine

2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine (PubChem CID 114592217) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine
PubChem CID114592217
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine
SMILESCC1CC(C)C(C)N(CCc2nc3ccc(N)cc3[nH]2)C1
InChIInChI=1S/C17H26N4/c1-11-8-12(2)13(3)21(10-11)7-6-17-19-15-5-4-14(18)9-16(15)20-17/h4-5,9,11-13H,6-8,10,18H2,1-3H3,(H,19,20)
InChIKeyPQHQVXHJAPADGW-UHFFFAOYSA-N
XLogP3.05
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 43375659
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-3H-benzimidazol-5-amine
CID 66392438
2-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]-3H-benzimidazol-5-amine
CID 63604343
[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932112
1-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]piperidin-3-ol
CID 43575336
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-amine
CID 93391422
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
CID 3373556
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine (CID 114592217) is 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine is CC1CC(C)C(C)N(CCc2nc3ccc(N)cc3[nH]2)C1.
What is the InChIKey of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine?
The InChIKey is PQHQVXHJAPADGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-11-8-12(2)13(3)21(10-11)7-6-17-19-15-5-4-14(18)9-16(15)20-17/h4-5,9,11-13H,6-8,10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine?
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 114592217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).