ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate

C16H19BrN2O2 — CID 79480039

IUPACethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCCn1c(C2(C(=O)OCC)CC2)nc2cc(Br)ccc21
InChIInChI=1S/C16H19BrN2O2/c1-3-9-19-13-6-5-11(17)10-12(13)18-14(19)16(7-8-16)15(20)21-4-2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyBTMGQZKOADNVDN-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.80
Rot. Bonds5

About ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate

ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 79480039) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID79480039
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Nameethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCCn1c(C2(C(=O)OCC)CC2)nc2cc(Br)ccc21
InChIInChI=1S/C16H19BrN2O2/c1-3-9-19-13-6-5-11(17)10-12(13)18-14(19)16(7-8-16)15(20)21-4-2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyBTMGQZKOADNVDN-UHFFFAOYSA-N
XLogP3.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate (CID 79480039) is ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate is CCCn1c(C2(C(=O)OCC)CC2)nc2cc(Br)ccc21.
What is the InChIKey of ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is BTMGQZKOADNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-9-19-13-6-5-11(17)10-12(13)18-14(19)16(7-8-16)15(20)21-4-2/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 351.24 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-bromo-1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79480039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).