ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate

C14H16N2O2 — CID 79472791

IUPACethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccccc3n2C)CC1
InChIInChI=1S/C14H16N2O2/c1-3-18-13(17)14(8-9-14)12-15-10-6-4-5-7-11(10)16(12)2/h4-7H,3,8-9H2,1-2H3
InChIKeyCHOAGOXQQKHAAI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.17
Rot. Bonds3

About ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate

ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 79472791) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID79472791
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nameethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccccc3n2C)CC1
InChIInChI=1S/C14H16N2O2/c1-3-18-13(17)14(8-9-14)12-15-10-6-4-5-7-11(10)16(12)2/h4-7H,3,8-9H2,1-2H3
InChIKeyCHOAGOXQQKHAAI-UHFFFAOYSA-N
XLogP2.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate (CID 79472791) is ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc3ccccc3n2C)CC1.
What is the InChIKey of ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is CHOAGOXQQKHAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-18-13(17)14(8-9-14)12-15-10-6-4-5-7-11(10)16(12)2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79472791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).