[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol

C13H11ClN2O2 — CID 46310204

IUPAC[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(Cl)cc2n1Cc1ccco1
InChIInChI=1S/C13H11ClN2O2/c14-9-3-4-11-12(6-9)16(13(8-17)15-11)7-10-2-1-5-18-10/h1-6,17H,7-8H2
InChIKeyALGDYPLRBBLRPR-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.82
Rot. Bonds3

About [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol

[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol (PubChem CID 46310204) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
PubChem CID46310204
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(Cl)cc2n1Cc1ccco1
InChIInChI=1S/C13H11ClN2O2/c14-9-3-4-11-12(6-9)16(13(8-17)15-11)7-10-2-1-5-18-10/h1-6,17H,7-8H2
InChIKeyALGDYPLRBBLRPR-UHFFFAOYSA-N
XLogP2.82
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol?
The IUPAC name of [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol (CID 46310204) is [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol is OCc1nc2ccc(Cl)cc2n1Cc1ccco1.
What is the InChIKey of [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol?
The InChIKey is ALGDYPLRBBLRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-9-3-4-11-12(6-9)16(13(8-17)15-11)7-10-2-1-5-18-10/h1-6,17H,7-8H2.
What are the key properties of [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol?
[6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol has a molecular weight of 262.70 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 46310204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).