1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol

C22H22N4O2 — CID 22227010

IUPAC1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
SMILESCC1(O)CCN(c2cccc3ccc(-n4cnc5cc(O)ccc54)nc23)CC1
InChIInChI=1S/C22H22N4O2/c1-22(28)9-11-25(12-10-22)19-4-2-3-15-5-8-20(24-21(15)19)26-14-23-17-13-16(27)6-7-18(17)26/h2-8,13-14,27-28H,9-12H2,1H3
InChIKeyGTDQOIXKDKPZSK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.63
Rot. Bonds2

About 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol

1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol (PubChem CID 22227010) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol.

Molecular Properties

Compound Name1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
PubChem CID22227010
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
SMILESCC1(O)CCN(c2cccc3ccc(-n4cnc5cc(O)ccc54)nc23)CC1
InChIInChI=1S/C22H22N4O2/c1-22(28)9-11-25(12-10-22)19-4-2-3-15-5-8-20(24-21(15)19)26-14-23-17-13-16(27)6-7-18(17)26/h2-8,13-14,27-28H,9-12H2,1H3
InChIKeyGTDQOIXKDKPZSK-UHFFFAOYSA-N
XLogP3.63
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(5-hydroxybenzimidazol-1-yl)quinolin-8-yl]piperidin-4-yl]-methylboronamidic acid;molecular hydrogen
CID 157233133
1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
CID 151210296
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
CID 141038235
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;phosphoric acid
CID 73438364
1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
CID 10112406
2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
CID 10276341
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497
1-[8-(2-azabicyclo[3.1.0]hexan-2-yl)quinoxalin-2-yl]benzimidazol-5-ol
CID 175422833
3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
1-[2-(5-pyridin-3-ylbenzimidazol-1-yl)quinolin-8-yl]piperidin-3-amine
CID 141038248
4-amino-1-[2-(benzimidazol-1-yl)quinolin-8-yl]piperidin-2-one
CID 70928974
1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
CID 21020290

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol?
The IUPAC name of 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol (CID 22227010) is 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol.
What is the SMILES notation for 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol?
The canonical SMILES for 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol is CC1(O)CCN(c2cccc3ccc(-n4cnc5cc(O)ccc54)nc23)CC1.
What is the InChIKey of 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol?
The InChIKey is GTDQOIXKDKPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-22(28)9-11-25(12-10-22)19-4-2-3-15-5-8-20(24-21(15)19)26-14-23-17-13-16(27)6-7-18(17)26/h2-8,13-14,27-28H,9-12H2,1H3.
What are the key properties of 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol?
1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol has a molecular weight of 374.44 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol is sourced from PubChem (CID 22227010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).