ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate

C15H18N2O2 — CID 79471719

IUPACethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3cc(C)ccc3n2C)CC1
InChIInChI=1S/C15H18N2O2/c1-4-19-14(18)15(7-8-15)13-16-11-9-10(2)5-6-12(11)17(13)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyQVAYVYLPEXVLEB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds3

About ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate

ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 79471719) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID79471719
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3cc(C)ccc3n2C)CC1
InChIInChI=1S/C15H18N2O2/c1-4-19-14(18)15(7-8-15)13-16-11-9-10(2)5-6-12(11)17(13)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyQVAYVYLPEXVLEB-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate (CID 79471719) is ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc3cc(C)ccc3n2C)CC1.
What is the InChIKey of ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is QVAYVYLPEXVLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-14(18)15(7-8-15)13-16-11-9-10(2)5-6-12(11)17(13)3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79471719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).