ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate

C15H21ClN2O2 — CID 88797368

IUPACethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate
SMILESCCCCN1CN(CC(=O)OCC)c2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2/c1-3-5-8-17-11-18(10-15(19)20-4-2)14-9-12(16)6-7-13(14)17/h6-7,9H,3-5,8,10-11H2,1-2H3
InChIKeyCGHAVARANNHCCM-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.29
Rot. Bonds6

About ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate

ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate (PubChem CID 88797368) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate
PubChem CID88797368
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Nameethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate
SMILESCCCCN1CN(CC(=O)OCC)c2cc(Cl)ccc21
InChIInChI=1S/C15H21ClN2O2/c1-3-5-8-17-11-18(10-15(19)20-4-2)14-9-12(16)6-7-13(14)17/h6-7,9H,3-5,8,10-11H2,1-2H3
InChIKeyCGHAVARANNHCCM-UHFFFAOYSA-N
XLogP3.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate (CID 88797368) is ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate is CCCCN1CN(CC(=O)OCC)c2cc(Cl)ccc21.
What is the InChIKey of ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate?
The InChIKey is CGHAVARANNHCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-5-8-17-11-18(10-15(19)20-4-2)14-9-12(16)6-7-13(14)17/h6-7,9H,3-5,8,10-11H2,1-2H3.
What are the key properties of ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate?
ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate has a molecular weight of 296.80 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-butyl-6-chloro-2H-benzimidazol-1-yl)acetate is sourced from PubChem (CID 88797368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).