2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole

C28H28N6O — CID 25007968

IUPAC2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole
SMILESCc1ccc(OCC2C3CN(Cc4nc5ccccc5n4C)CC23)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C28H28N6O/c1-18-11-12-27(26(13-18)34-30-22-7-3-4-8-23(22)31-34)35-17-21-19-14-33(15-20(19)21)16-28-29-24-9-5-6-10-25(24)32(28)2/h3-13,19-21H,14-17H2,1-2H3
InChIKeyLVYSBFYGAJUYMI-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.37
Rot. Bonds6

About 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole

2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole (PubChem CID 25007968) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole.

Molecular Properties

Compound Name2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole
PubChem CID25007968
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole
SMILESCc1ccc(OCC2C3CN(Cc4nc5ccccc5n4C)CC23)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C28H28N6O/c1-18-11-12-27(26(13-18)34-30-22-7-3-4-8-23(22)31-34)35-17-21-19-14-33(15-20(19)21)16-28-29-24-9-5-6-10-25(24)32(28)2/h3-13,19-21H,14-17H2,1-2H3
InChIKeyLVYSBFYGAJUYMI-UHFFFAOYSA-N
XLogP4.37
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-2-[[(1R,5S)-6-[(3-phenylphenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]benzimidazole
CID 44578904
2-[[(1S,5R)-6-[(2-chloro-4-methylphenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25050692
2-[[(1R,5S)-6-[(5-chloro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylbenzimidazole
CID 25110722
2-[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]benzotriazole
CID 126655961
N,N-dibenzyl-1-[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 69404713
2-[[(1R,5S)-6-[(4-tert-butyl-2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25050827
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
2-(5-methyl-2-tridecoxyphenyl)benzotriazole
CID 59946740
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
4-methyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443603
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole?
The IUPAC name of 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole (CID 25007968) is 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole.
What is the SMILES notation for 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole?
The canonical SMILES for 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole is Cc1ccc(OCC2C3CN(Cc4nc5ccccc5n4C)CC23)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole?
The InChIKey is LVYSBFYGAJUYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-18-11-12-27(26(13-18)34-30-22-7-3-4-8-23(22)31-34)35-17-21-19-14-33(15-20(19)21)16-28-29-24-9-5-6-10-25(24)32(28)2/h3-13,19-21H,14-17H2,1-2H3.
What are the key properties of 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole?
2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole has a molecular weight of 464.57 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[[3-[(1-methylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]benzotriazole is sourced from PubChem (CID 25007968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).