4-chloro-2-ethoxy-1H-benzimidazole

C9H9ClN2O — CID 69014735

IUPAC4-chloro-2-ethoxy-1H-benzimidazole
SMILESCCOc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C9H9ClN2O/c1-2-13-9-11-7-5-3-4-6(10)8(7)12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyUDCSYGCISFYARY-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.62
Rot. Bonds2

About 4-chloro-2-ethoxy-1H-benzimidazole

4-chloro-2-ethoxy-1H-benzimidazole (PubChem CID 69014735) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-ethoxy-1H-benzimidazole
PubChem CID69014735
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-chloro-2-ethoxy-1H-benzimidazole
SMILESCCOc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C9H9ClN2O/c1-2-13-9-11-7-5-3-4-6(10)8(7)12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyUDCSYGCISFYARY-UHFFFAOYSA-N
XLogP2.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-1H-benzimidazole?
The IUPAC name of 4-chloro-2-ethoxy-1H-benzimidazole (CID 69014735) is 4-chloro-2-ethoxy-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-ethoxy-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-ethoxy-1H-benzimidazole is CCOc1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-ethoxy-1H-benzimidazole?
The InChIKey is UDCSYGCISFYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-2-13-9-11-7-5-3-4-6(10)8(7)12-9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 4-chloro-2-ethoxy-1H-benzimidazole?
4-chloro-2-ethoxy-1H-benzimidazole has a molecular weight of 196.64 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-1H-benzimidazole is sourced from PubChem (CID 69014735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).