methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate

C15H17FN2O2 — CID 79734184

IUPACmethyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3cc(F)ccc3n2C(C)C)CC1
InChIInChI=1S/C15H17FN2O2/c1-9(2)18-12-5-4-10(16)8-11(12)17-13(18)15(6-7-15)14(19)20-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyCQCWJSQIHSIOTF-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.96
Rot. Bonds3

About methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate

methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 79734184) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID79734184
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Namemethyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3cc(F)ccc3n2C(C)C)CC1
InChIInChI=1S/C15H17FN2O2/c1-9(2)18-12-5-4-10(16)8-11(12)17-13(18)15(6-7-15)14(19)20-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyCQCWJSQIHSIOTF-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate (CID 79734184) is methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2nc3cc(F)ccc3n2C(C)C)CC1.
What is the InChIKey of methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is CQCWJSQIHSIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9(2)18-12-5-4-10(16)8-11(12)17-13(18)15(6-7-15)14(19)20-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79734184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).