8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline

C27H25N5O — CID 141038235

IUPAC8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
SMILESc1cncc(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCCCC4)c3n2)c1
InChIInChI=1S/C27H25N5O/c1-2-14-31(15-3-1)25-8-4-7-21-9-12-26(30-27(21)25)32-19-29-23-16-22(10-11-24(23)32)33-18-20-6-5-13-28-17-20/h4-13,16-17,19H,1-3,14-15,18H2
InChIKeyBNUHANWJFIMSFS-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.54
Rot. Bonds5

About 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline

8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline (PubChem CID 141038235) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline.

Molecular Properties

Compound Name8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
PubChem CID141038235
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
SMILESc1cncc(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCCCC4)c3n2)c1
InChIInChI=1S/C27H25N5O/c1-2-14-31(15-3-1)25-8-4-7-21-9-12-26(30-27(21)25)32-19-29-23-16-22(10-11-24(23)32)33-18-20-6-5-13-28-17-20/h4-13,16-17,19H,1-3,14-15,18H2
InChIKeyBNUHANWJFIMSFS-UHFFFAOYSA-N
XLogP5.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-(5-pyridin-3-ylbenzimidazol-1-yl)quinolin-8-yl]piperidin-3-amine
CID 141038248
2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline
CID 10135365
2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
CID 10276341
1-[8-(4-hydroxy-4-methylpiperidin-1-yl)quinolin-2-yl]benzimidazol-5-ol
CID 22227010
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;phosphoric acid
CID 73438364
3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
2-(5-methoxybenzimidazol-1-yl)-N,N-dimethylquinolin-8-amine
CID 170712450
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

Frequently Asked Questions

What is the IUPAC name of 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline?
The IUPAC name of 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline (CID 141038235) is 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline.
What is the SMILES notation for 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline?
The canonical SMILES for 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline is c1cncc(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCCCC4)c3n2)c1.
What is the InChIKey of 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline?
The InChIKey is BNUHANWJFIMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-2-14-31(15-3-1)25-8-4-7-21-9-12-26(30-27(21)25)32-19-29-23-16-22(10-11-24(23)32)33-18-20-6-5-13-28-17-20/h4-13,16-17,19H,1-3,14-15,18H2.
What are the key properties of 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline?
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline has a molecular weight of 435.53 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline is sourced from PubChem (CID 141038235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).