1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol

C20H17N5O — CID 175422833

IUPAC1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2-c1cnc2cccc(N3CCC4CC43)c2n1
InChIInChI=1S/C20H17N5O/c26-13-4-5-16-15(9-13)22-11-25(16)19-10-21-14-2-1-3-17(20(14)23-19)24-7-6-12-8-18(12)24/h1-5,9-12,18,26H,6-8H2
InChIKeyIEVUKDOTCFBQPJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.27
Rot. Bonds2

About 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol

1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol (PubChem CID 175422833) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol.

Molecular Properties

Compound Name1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol
PubChem CID175422833
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol
SMILESOc1ccc2c(c1)ncn2-c1cnc2cccc(N3CCC4CC43)c2n1
InChIInChI=1S/C20H17N5O/c26-13-4-5-16-15(9-13)22-11-25(16)19-10-21-14-2-1-3-17(20(14)23-19)24-7-6-12-8-18(12)24/h1-5,9-12,18,26H,6-8H2
InChIKeyIEVUKDOTCFBQPJ-UHFFFAOYSA-N
XLogP3.27
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol with MolForge

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Related Compounds

1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
CID 22227010
N-[1-[2-(5-hydroxybenzimidazol-1-yl)quinolin-8-yl]piperidin-4-yl]-methylboronamidic acid;molecular hydrogen
CID 157233133
2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol
CID 11634317
4-[2-[5-[3-(dimethylamino)propoxy]benzimidazol-1-yl]quinolin-8-yl]phenol
CID 22226916
1-[2-(5-pyridin-3-ylbenzimidazol-1-yl)quinolin-8-yl]piperidin-3-amine
CID 141038248
1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
CID 151210296
1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
CID 10112406
1-(6-bromo-2-pyridinyl)benzimidazol-5-amine
CID 58217164
1-hydroxybenzimidazol-5-ol
CID 118518300
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
CID 70928974
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol?
The IUPAC name of 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol (CID 175422833) is 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol.
What is the SMILES notation for 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol?
The canonical SMILES for 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol is Oc1ccc2c(c1)ncn2-c1cnc2cccc(N3CCC4CC43)c2n1.
What is the InChIKey of 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol?
The InChIKey is IEVUKDOTCFBQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-13-4-5-16-15(9-13)22-11-25(16)19-10-21-14-2-1-3-17(20(14)23-19)24-7-6-12-8-18(12)24/h1-5,9-12,18,26H,6-8H2.
What are the key properties of 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol?
1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol has a molecular weight of 343.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol is sourced from PubChem (CID 175422833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).