2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol

C26H31N5O4 — CID 11634317

IUPAC2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3O)c2n1
InChIInChI=1S/C26H31N5O4/c1-26(13-32,14-33)15-35-19-6-7-21-20(12-19)28-16-31(21)23-8-5-17-3-2-4-22(25(17)29-23)30-10-9-18(27)11-24(30)34/h2-8,12,16,18,24,32-34H,9-11,13-15,27H2,1H3
InChIKeyRDGCXQZZBUTALW-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.19
Rot. Bonds7

About 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol

2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol (PubChem CID 11634317) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol
PubChem CID11634317
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3O)c2n1
InChIInChI=1S/C26H31N5O4/c1-26(13-32,14-33)15-35-19-6-7-21-20(12-19)28-16-31(21)23-8-5-17-3-2-4-22(25(17)29-23)30-10-9-18(27)11-24(30)34/h2-8,12,16,18,24,32-34H,9-11,13-15,27H2,1H3
InChIKeyRDGCXQZZBUTALW-UHFFFAOYSA-N
XLogP2.19
TPSA129.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

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-[2-[5-(cyclopropylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
CID 10112406
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
1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;phosphoric acid
CID 73438364
1-[2-[5-(pyridin-2-ylmethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-ol
CID 151210296
3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497
2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
CID 10276341
4-[2-[5-[3-(dimethylamino)propoxy]benzimidazol-1-yl]quinolin-8-yl]phenol
CID 22226916
10-methyl-9-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 169082893
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
CID 141038235
2-(5-methoxybenzimidazol-1-yl)-N,N-dimethylquinolin-8-amine
CID 170712450

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol (CID 11634317) is 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol is CC(CO)(CO)COc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3O)c2n1.
What is the InChIKey of 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol?
The InChIKey is RDGCXQZZBUTALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-26(13-32,14-33)15-35-19-6-7-21-20(12-19)28-16-31(21)23-8-5-17-3-2-4-22(25(17)29-23)30-10-9-18(27)11-24(30)34/h2-8,12,16,18,24,32-34H,9-11,13-15,27H2,1H3.
What are the key properties of 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol?
2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol has a molecular weight of 477.57 g/mol, XLogP of 2.19, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[8-(4-amino-2-hydroxypiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 11634317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).