2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide

C10H12BrN3O2 — CID 2868739

IUPAC2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)O
InChIInChI=1S/C10H11N3O2.BrH/c1-12-7-4-2-3-5-8(7)13(10(12)11)6-9(14)15;/h2-5,11H,6H2,1H3,(H,14,15);1H/b11-10+;
InChIKeyIMQCPEJHSQIFKT-ASTDGNLGSA-N
MW286.13 g/mol
LogP1.12
Rot. Bonds2

About 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide

2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide (PubChem CID 2868739) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide.

Molecular Properties

Compound Name2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide
PubChem CID2868739
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)O
InChIInChI=1S/C10H11N3O2.BrH/c1-12-7-4-2-3-5-8(7)13(10(12)11)6-9(14)15;/h2-5,11H,6H2,1H3,(H,14,15);1H/b11-10+;
InChIKeyIMQCPEJHSQIFKT-ASTDGNLGSA-N
XLogP1.12
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide?
The IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide (CID 2868739) is 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide.
What is the SMILES notation for 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide?
The canonical SMILES for 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide?
The InChIKey is IMQCPEJHSQIFKT-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H11N3O2.BrH/c1-12-7-4-2-3-5-8(7)13(10(12)11)6-9(14)15;/h2-5,11H,6H2,1H3,(H,14,15);1H/b11-10+;.
What are the key properties of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide?
2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide has a molecular weight of 286.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid;hydrobromide is sourced from PubChem (CID 2868739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).