(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol

C25H26N4O — CID 67152171

IUPAC(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol
SMILESC[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2N2CCNCC2)c1
InChIInChI=1S/C25H26N4O/c1-18(30)19-9-10-25-23(16-19)27-17-29(25)21-6-4-5-20(15-21)22-7-2-3-8-24(22)28-13-11-26-12-14-28/h2-10,15-18,26,30H,11-14H2,1H3/t18-/m1/s1
InChIKeyYFQSORCGYDGRRB-GOSISDBHSA-N
MW398.51 g/mol
LogP4.16
Rot. Bonds4

About (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol

(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol (PubChem CID 67152171) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol
PubChem CID67152171
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol
SMILESC[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2N2CCNCC2)c1
InChIInChI=1S/C25H26N4O/c1-18(30)19-9-10-25-23(16-19)27-17-29(25)21-6-4-5-20(15-21)22-7-2-3-8-24(22)28-13-11-26-12-14-28/h2-10,15-18,26,30H,11-14H2,1H3/t18-/m1/s1
InChIKeyYFQSORCGYDGRRB-GOSISDBHSA-N
XLogP4.16
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095861
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol
CID 67152234
1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 24768673
(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol
CID 67152175
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol
CID 11415465
CID 159278338
CID 159278338
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
CID 67096012
N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
CID 67096068

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol (CID 67152171) is (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol is C[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2N2CCNCC2)c1.
What is the InChIKey of (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol?
The InChIKey is YFQSORCGYDGRRB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18(30)19-9-10-25-23(16-19)27-17-29(25)21-6-4-5-20(15-21)22-7-2-3-8-24(22)28-13-11-26-12-14-28/h2-10,15-18,26,30H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol?
(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol has a molecular weight of 398.51 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol is sourced from PubChem (CID 67152171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).