2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine

C17H26N4 — CID 83976007

IUPAC2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(CN)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H26N4/c1-2-9-21-10-7-13(8-11-21)14(12-18)17-19-15-5-3-4-6-16(15)20-17/h3-6,13-14H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyDAMGFWQMRIDLNI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.73
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine

2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 83976007) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine
PubChem CID83976007
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(CN)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H26N4/c1-2-9-21-10-7-13(8-11-21)14(12-18)17-19-15-5-3-4-6-16(15)20-17/h3-6,13-14H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyDAMGFWQMRIDLNI-UHFFFAOYSA-N
XLogP2.73
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine
CID 83975997
2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83976004
2-(1-propylpiperidin-4-yl)-2-pyridin-2-ylethanamine
CID 83975803
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
CID 54300780
2-(2,4-dimethylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83972813
2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole
CID 18616871
1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
CID 69063940
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
CID 126452336

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine (CID 83976007) is 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(CN)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is DAMGFWQMRIDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-9-21-10-7-13(8-11-21)14(12-18)17-19-15-5-3-4-6-16(15)20-17/h3-6,13-14H,2,7-12,18H2,1H3,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine?
2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 286.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 83976007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).