1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol

C27H25N5O2 — CID 151210296

IUPAC1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
SMILESOC1CCN(c2cccc3ccc(-n4cnc5cc(OCc6ccccn6)ccc54)nc23)CC1
InChIInChI=1S/C27H25N5O2/c33-21-11-14-31(15-12-21)25-6-3-4-19-7-10-26(30-27(19)25)32-18-29-23-16-22(8-9-24(23)32)34-17-20-5-1-2-13-28-20/h1-10,13,16,18,21,33H,11-12,14-15,17H2
InChIKeyNKCZWRGVQAPHOB-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol

1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol (PubChem CID 151210296) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
PubChem CID151210296
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
SMILESOC1CCN(c2cccc3ccc(-n4cnc5cc(OCc6ccccn6)ccc54)nc23)CC1
InChIInChI=1S/C27H25N5O2/c33-21-11-14-31(15-12-21)25-6-3-4-19-7-10-26(30-27(19)25)32-18-29-23-16-22(8-9-24(23)32)34-17-20-5-1-2-13-28-20/h1-10,13,16,18,21,33H,11-12,14-15,17H2
InChIKeyNKCZWRGVQAPHOB-UHFFFAOYSA-N
XLogP4.51
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
CID 10112406
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
CID 141038235
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497
3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
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
6-[2-[[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-3-hydroxy-2-methylpropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11505555
1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide
CID 16820453
2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline
CID 10135365
6-[4-amino-1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11541903
4-[2-[5-[3-(dimethylamino)propoxy]benzimidazol-1-yl]quinolin-8-yl]phenol
CID 22226916

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol (CID 151210296) is 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol is OC1CCN(c2cccc3ccc(-n4cnc5cc(OCc6ccccn6)ccc54)nc23)CC1.
What is the InChIKey of 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol?
The InChIKey is NKCZWRGVQAPHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c33-21-11-14-31(15-12-21)25-6-3-4-19-7-10-26(30-27(19)25)32-18-29-23-16-22(8-9-24(23)32)34-17-20-5-1-2-13-28-20/h1-10,13,16,18,21,33H,11-12,14-15,17H2.
What are the key properties of 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol?
1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol has a molecular weight of 451.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol is sourced from PubChem (CID 151210296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).