(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol

C22H19ClN2O2 — CID 69077985

IUPAC(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
SMILESCOc1ccccc1-c1cc(-n2cnc3cc([C@H](C)O)ccc32)ccc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-14(26)15-7-10-21-20(11-15)24-13-25(21)16-8-9-19(23)18(12-16)17-5-3-4-6-22(17)27-2/h3-14,26H,1-2H3/t14-/m0/s1
InChIKeyVFSMTIRFZRSHGH-AWEZNQCLSA-N
MW378.86 g/mol
LogP5.41
Rot. Bonds4

About (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol

(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol (PubChem CID 69077985) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
PubChem CID69077985
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
SMILESCOc1ccccc1-c1cc(-n2cnc3cc([C@H](C)O)ccc32)ccc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-14(26)15-7-10-21-20(11-15)24-13-25(21)16-8-9-19(23)18(12-16)17-5-3-4-6-22(17)27-2/h3-14,26H,1-2H3/t14-/m0/s1
InChIKeyVFSMTIRFZRSHGH-AWEZNQCLSA-N
XLogP5.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol (CID 69077985) is (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol is COc1ccccc1-c1cc(-n2cnc3cc([C@H](C)O)ccc32)ccc1Cl.
What is the InChIKey of (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
The InChIKey is VFSMTIRFZRSHGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-14(26)15-7-10-21-20(11-15)24-13-25(21)16-8-9-19(23)18(12-16)17-5-3-4-6-22(17)27-2/h3-14,26H,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol?
(1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol has a molecular weight of 378.86 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[4-chloro-3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol is sourced from PubChem (CID 69077985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).