2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol

C17H14ClN3O2S — CID 7756566

IUPAC2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol
SMILESOCCn1c(CSc2nc3ccccc3o2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3O2S/c18-11-5-6-12-14(9-11)21(7-8-22)16(19-12)10-24-17-20-13-3-1-2-4-15(13)23-17/h1-6,9,22H,7-8,10H2
InChIKeyVBWGHNNSBLMGQY-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol

2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol (PubChem CID 7756566) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol
PubChem CID7756566
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol
SMILESOCCn1c(CSc2nc3ccccc3o2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3O2S/c18-11-5-6-12-14(9-11)21(7-8-22)16(19-12)10-24-17-20-13-3-1-2-4-15(13)23-17/h1-6,9,22H,7-8,10H2
InChIKeyVBWGHNNSBLMGQY-UHFFFAOYSA-N
XLogP4.12
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol (CID 7756566) is 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol is OCCn1c(CSc2nc3ccccc3o2)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol?
The InChIKey is VBWGHNNSBLMGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-11-5-6-12-14(9-11)21(7-8-22)16(19-12)10-24-17-20-13-3-1-2-4-15(13)23-17/h1-6,9,22H,7-8,10H2.
What are the key properties of 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol?
2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol has a molecular weight of 359.84 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-chlorobenzimidazol-1-yl]ethanol is sourced from PubChem (CID 7756566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).