2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole

C14H17N3 — CID 133481137

IUPAC2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCCC4(CC4)C3)nc2c1
InChIInChI=1S/C14H17N3/c1-2-5-12-11(4-1)15-13(16-12)17-9-3-6-14(10-17)7-8-14/h1-2,4-5H,3,6-10H2,(H,15,16)
InChIKeyMXXFFOXRTNNCIJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.94
Rot. Bonds1

About 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole

2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole (PubChem CID 133481137) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
PubChem CID133481137
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(N3CCCC4(CC4)C3)nc2c1
InChIInChI=1S/C14H17N3/c1-2-5-12-11(4-1)15-13(16-12)17-9-3-6-14(10-17)7-8-14/h1-2,4-5H,3,6-10H2,(H,15,16)
InChIKeyMXXFFOXRTNNCIJ-UHFFFAOYSA-N
XLogP2.94
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850634
1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
CID 113343734
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
CID 133411172
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133410916
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
9-(1H-benzimidazol-2-yl)-2-[(3-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 53259119
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole (CID 133481137) is 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole is c1ccc2[nH]c(N3CCCC4(CC4)C3)nc2c1.
What is the InChIKey of 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole?
The InChIKey is MXXFFOXRTNNCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-5-12-11(4-1)15-13(16-12)17-9-3-6-14(10-17)7-8-14/h1-2,4-5H,3,6-10H2,(H,15,16).
What are the key properties of 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole?
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole has a molecular weight of 227.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole is sourced from PubChem (CID 133481137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).