ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate

C14H15BrN2O2 — CID 79475112

IUPACethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H15BrN2O2/c1-2-19-14(18)8-13-16-11-7-9(15)3-6-12(11)17(13)10-4-5-10/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyWOTGCXZLYITDFH-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.24
Rot. Bonds4

About ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate

ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate (PubChem CID 79475112) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
PubChem CID79475112
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Nameethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H15BrN2O2/c1-2-19-14(18)8-13-16-11-7-9(15)3-6-12(11)17(13)10-4-5-10/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyWOTGCXZLYITDFH-UHFFFAOYSA-N
XLogP3.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid
CID 60784268
5-bromo-2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole
CID 63545228
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
ethyl 2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]acetate
CID 60810829
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 60783807
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427812
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
1-amino-1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)propan-2-ol
CID 54920296
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate (CID 79475112) is ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate is CCOC(=O)Cc1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate?
The InChIKey is WOTGCXZLYITDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-19-14(18)8-13-16-11-7-9(15)3-6-12(11)17(13)10-4-5-10/h3,6-7,10H,2,4-5,8H2,1H3.
What are the key properties of ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate?
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate has a molecular weight of 323.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate is sourced from PubChem (CID 79475112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).