(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol

C16H21N3O — CID 165420337

IUPAC(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2Cc1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O/c20-13-8-11-4-3-5-12(9-13)19(11)10-16-17-14-6-1-2-7-15(14)18-16/h1-2,6-7,11-13,20H,3-5,8-10H2,(H,17,18)/t11-,12+,13?
InChIKeyYBTHITTXNKHHAK-FUNVUKJBSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds2

About (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol

(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 165420337) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID165420337
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2Cc1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O/c20-13-8-11-4-3-5-12(9-13)19(11)10-16-17-14-6-1-2-7-15(14)18-16/h1-2,6-7,11-13,20H,3-5,8-10H2,(H,17,18)/t11-,12+,13?
InChIKeyYBTHITTXNKHHAK-FUNVUKJBSA-N
XLogP2.44
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

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[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
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2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
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2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
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2-[[3-[6-(trifluoromethyl)pyrimidin-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 165420337) is (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1C[C@H]2CCC[C@@H](C1)N2Cc1nc2ccccc2[nH]1.
What is the InChIKey of (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is YBTHITTXNKHHAK-FUNVUKJBSA-N. The full InChI is InChI=1S/C16H21N3O/c20-13-8-11-4-3-5-12(9-13)19(11)10-16-17-14-6-1-2-7-15(14)18-16/h1-2,6-7,11-13,20H,3-5,8-10H2,(H,17,18)/t11-,12+,13?.
What are the key properties of (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 271.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-(1H-benzimidazol-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 165420337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).