4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid

C14H15BrN2O2 — CID 60784268

IUPAC4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H15BrN2O2/c15-9-4-7-12-11(8-9)16-13(2-1-3-14(18)19)17(12)10-5-6-10/h4,7-8,10H,1-3,5-6H2,(H,18,19)
InChIKeyMQCGGWMWMLJXFP-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.54
Rot. Bonds5

About 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid

4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid (PubChem CID 60784268) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid
PubChem CID60784268
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H15BrN2O2/c15-9-4-7-12-11(8-9)16-13(2-1-3-14(18)19)17(12)10-5-6-10/h4,7-8,10H,1-3,5-6H2,(H,18,19)
InChIKeyMQCGGWMWMLJXFP-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)propanoic acid
CID 60784983
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
CID 79475112
5-bromo-2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole
CID 63545228
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
5-chloro-2-(4-chlorobutyl)-1-cyclopropylbenzimidazole
CID 54919972
2-(3-chloropropyl)-1-cyclopropyl-5-methylbenzimidazole
CID 60783894
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 60783807
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
5-bromo-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667494
6-(5-chloro-1-cyclopropylbenzimidazol-2-yl)hexan-1-amine
CID 60783944

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid (CID 60784268) is 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid is O=C(O)CCCc1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid?
The InChIKey is MQCGGWMWMLJXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-9-4-7-12-11(8-9)16-13(2-1-3-14(18)19)17(12)10-5-6-10/h4,7-8,10H,1-3,5-6H2,(H,18,19).
What are the key properties of 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid?
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid has a molecular weight of 323.19 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 60784268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).