4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole

C23H27N3O — CID 155782582

IUPAC4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole
SMILESCOC1(c2cccc3[nH]cnc23)C2CCCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C23H27N3O/c1-27-23(20-11-6-12-21-22(20)25-16-24-21)18-9-5-10-19(23)15-26(14-18)13-17-7-3-2-4-8-17/h2-4,6-8,11-12,16,18-19H,5,9-10,13-15H2,1H3,(H,24,25)
InChIKeyMMADNHKVPADCNV-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.34
Rot. Bonds4

About 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole

4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole (PubChem CID 155782582) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole
PubChem CID155782582
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole
SMILESCOC1(c2cccc3[nH]cnc23)C2CCCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C23H27N3O/c1-27-23(20-11-6-12-21-22(20)25-16-24-21)18-9-5-10-19(23)15-26(14-18)13-17-7-3-2-4-8-17/h2-4,6-8,11-12,16,18-19H,5,9-10,13-15H2,1H3,(H,24,25)
InChIKeyMMADNHKVPADCNV-UHFFFAOYSA-N
XLogP4.34
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-benzyl-9-ethoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-indazole
CID 155782550
3-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzonitrile
CID 139383318
3-benzyl-8-(3-bromophenyl)-8-methoxy-3-azabicyclo[3.2.1]octane
CID 69428465
4-(3-benzyl-9-prop-2-enyl-3-azabicyclo[3.3.1]nonan-9-yl)-2-methyl-1H-benzimidazole
CID 155782573
4-(3-benzyl-9-ethoxy-3-azabicyclo[3.3.1]nonan-9-yl)-6-fluoro-2H-benzotriazole
CID 155782565
3-benzyl-9-(2-isocyano-4-pyridinyl)-9-methoxy-3-azabicyclo[3.3.1]nonane;4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carbonitrile
CID 157456551
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
3-[(1R,5R)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
CID 170906272
(1S,5S)-9-amino-3-benzyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98110083
4-[(1R,5S)-9-methoxy-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;dihydrochloride
CID 139368077
(1S,5S)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
CID 90677991

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole?
The IUPAC name of 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole (CID 155782582) is 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole.
What is the SMILES notation for 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole?
The canonical SMILES for 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole is COC1(c2cccc3[nH]cnc23)C2CCCC1CN(Cc1ccccc1)C2.
What is the InChIKey of 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole?
The InChIKey is MMADNHKVPADCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-27-23(20-11-6-12-21-22(20)25-16-24-21)18-9-5-10-19(23)15-26(14-18)13-17-7-3-2-4-8-17/h2-4,6-8,11-12,16,18-19H,5,9-10,13-15H2,1H3,(H,24,25).
What are the key properties of 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole?
4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole has a molecular weight of 361.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)-1H-benzimidazole is sourced from PubChem (CID 155782582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).