4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide

C8H13BrN2O2 — CID 175058190

IUPAC4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
SMILESBr.Cn1ccnc1CCCC(=O)O
InChIInChI=1S/C8H12N2O2.BrH/c1-10-6-5-9-7(10)3-2-4-8(11)12;/h5-6H,2-4H2,1H3,(H,11,12);1H
InChIKeyDDAMPHHDGTWTNO-UHFFFAOYSA-N
MW249.11 g/mol
LogP1.41
Rot. Bonds4

About 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide

4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide (PubChem CID 175058190) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
PubChem CID175058190
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
SMILESBr.Cn1ccnc1CCCC(=O)O
InChIInChI=1S/C8H12N2O2.BrH/c1-10-6-5-9-7(10)3-2-4-8(11)12;/h5-6H,2-4H2,1H3,(H,11,12);1H
InChIKeyDDAMPHHDGTWTNO-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114532079
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-dodecyl-1-methylimidazole;prop-2-enoic acid
CID 175068688
4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 64890881
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
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CID 62962598

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide?
The IUPAC name of 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide (CID 175058190) is 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide?
The canonical SMILES for 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide is Br.Cn1ccnc1CCCC(=O)O.
What is the InChIKey of 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide?
The InChIKey is DDAMPHHDGTWTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.BrH/c1-10-6-5-9-7(10)3-2-4-8(11)12;/h5-6H,2-4H2,1H3,(H,11,12);1H.
What are the key properties of 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide?
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide has a molecular weight of 249.11 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide is sourced from PubChem (CID 175058190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).