(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol

C19H21ClN2O2 — CID 92501230

IUPAC(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
SMILESCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-3-19-21-17-6-4-5-7-18(17)22(19)11-14(23)12-24-15-8-9-16(20)13(2)10-15/h4-10,14,23H,3,11-12H2,1-2H3/t14-/m1/s1
InChIKeyARPGSWAARADVQH-CQSZACIVSA-N
MW344.84 g/mol
LogP4.00
Rot. Bonds6

About (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol

(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol (PubChem CID 92501230) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
PubChem CID92501230
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
SMILESCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-3-19-21-17-6-4-5-7-18(17)22(19)11-14(23)12-24-15-8-9-16(20)13(2)10-15/h4-10,14,23H,3,11-12H2,1-2H3/t14-/m1/s1
InChIKeyARPGSWAARADVQH-CQSZACIVSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 35583929
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285
1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 42653343
1-[4-[3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4294955
(4R)-1-tert-butyl-4-[1-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408199
(2S)-1-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227
2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]acetonitrile
CID 25324083
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol (CID 92501230) is (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol is CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is ARPGSWAARADVQH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-19-21-17-6-4-5-7-18(17)22(19)11-14(23)12-24-15-8-9-16(20)13(2)10-15/h4-10,14,23H,3,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 344.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 92501230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).