[5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol

C13H9Cl3N4O2 — CID 142453794

IUPAC[5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2c(OCc3ccnc(Cl)n3)c(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H9Cl3N4O2/c14-7-3-8-11(20-9(4-21)19-8)12(10(7)15)22-5-6-1-2-17-13(16)18-6/h1-3,21H,4-5H2,(H,19,20)
InChIKeyQZDNUEYYGZMSAG-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.38
Rot. Bonds4

About [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol

[5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol (PubChem CID 142453794) has the molecular formula C13H9Cl3N4O2 and a molecular weight of 359.60 g/mol. Its IUPAC name is [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol
PubChem CID142453794
Molecular FormulaC13H9Cl3N4O2
Molecular Weight359.60 g/mol
Exact Mass357.98
IUPAC Name[5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2c(OCc3ccnc(Cl)n3)c(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C13H9Cl3N4O2/c14-7-3-8-11(20-9(4-21)19-8)12(10(7)15)22-5-6-1-2-17-13(16)18-6/h1-3,21H,4-5H2,(H,19,20)
InChIKeyQZDNUEYYGZMSAG-UHFFFAOYSA-N
XLogP3.38
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol (CID 142453794) is [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol is OCc1nc2c(OCc3ccnc(Cl)n3)c(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol?
The InChIKey is QZDNUEYYGZMSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N4O2/c14-7-3-8-11(20-9(4-21)19-8)12(10(7)15)22-5-6-1-2-17-13(16)18-6/h1-3,21H,4-5H2,(H,19,20).
What are the key properties of [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol?
[5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol has a molecular weight of 359.60 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dichloro-4-[(2-chloropyrimidin-4-yl)methoxy]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 142453794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).