2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane

C16H22N4 — CID 102850634

IUPAC2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
SMILESc1ccc2[nH]c(N3CCCC4(CCCNC4)C3)nc2c1
InChIInChI=1S/C16H22N4/c1-2-6-14-13(5-1)18-15(19-14)20-10-4-8-16(12-20)7-3-9-17-11-16/h1-2,5-6,17H,3-4,7-12H2,(H,18,19)
InChIKeyWOAVVFNVWVBKLB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.53
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane

2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102850634) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
PubChem CID102850634
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
SMILESc1ccc2[nH]c(N3CCCC4(CCCNC4)C3)nc2c1
InChIInChI=1S/C16H22N4/c1-2-6-14-13(5-1)18-15(19-14)20-10-4-8-16(12-20)7-3-9-17-11-16/h1-2,5-6,17H,3-4,7-12H2,(H,18,19)
InChIKeyWOAVVFNVWVBKLB-UHFFFAOYSA-N
XLogP2.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1,3-benzothiazole
CID 102850626
1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
CID 113343734
[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
CID 133411172
2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850535
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 102850533
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-benzothiazole
CID 102850087
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole
CID 112740355

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane (CID 102850634) is 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane is c1ccc2[nH]c(N3CCCC4(CCCNC4)C3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is WOAVVFNVWVBKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-6-14-13(5-1)18-15(19-14)20-10-4-8-16(12-20)7-3-9-17-11-16/h1-2,5-6,17H,3-4,7-12H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane?
2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 270.38 g/mol, XLogP of 2.53, 1 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)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).