3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid

C12H13BrN2O2 — CID 84815767

IUPAC3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
SMILESCCc1nc2cc(Br)ccc2n1CCC(=O)O
InChIInChI=1S/C12H13BrN2O2/c1-2-11-14-9-7-8(13)3-4-10(9)15(11)6-5-12(16)17/h3-4,7H,2,5-6H2,1H3,(H,16,17)
InChIKeyMINVKLXCEJTYSQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.84
Rot. Bonds4

About 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid

3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid (PubChem CID 84815767) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
PubChem CID84815767
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
SMILESCCc1nc2cc(Br)ccc2n1CCC(=O)O
InChIInChI=1S/C12H13BrN2O2/c1-2-11-14-9-7-8(13)3-4-10(9)15(11)6-5-12(16)17/h3-4,7H,2,5-6H2,1H3,(H,16,17)
InChIKeyMINVKLXCEJTYSQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 43660318
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
CID 82332822
N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667678
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723483

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid (CID 84815767) is 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid is CCc1nc2cc(Br)ccc2n1CCC(=O)O.
What is the InChIKey of 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid?
The InChIKey is MINVKLXCEJTYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-2-11-14-9-7-8(13)3-4-10(9)15(11)6-5-12(16)17/h3-4,7H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid?
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid has a molecular weight of 297.15 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 84815767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).