2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide

C16H16BrN3O — CID 2852336

IUPAC2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O.BrH/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12;/h2-10,17H,11H2,1H3;1H/b17-16+;
InChIKeyAJICQLRYNZLZNT-CMBBICFISA-N
MW346.23 g/mol
LogP2.92
Rot. Bonds3

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

2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide (PubChem CID 2852336) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide
PubChem CID2852336
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C16H15N3O.BrH/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12;/h2-10,17H,11H2,1H3;1H/b17-16+;
InChIKeyAJICQLRYNZLZNT-CMBBICFISA-N
XLogP2.92
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide?
The IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide (CID 2852336) is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide?
The InChIKey is AJICQLRYNZLZNT-CMBBICFISA-N. The full InChI is InChI=1S/C16H15N3O.BrH/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12;/h2-10,17H,11H2,1H3;1H/b17-16+;.
What are the key properties of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide?
2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide has a molecular weight of 346.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanone;hydrobromide is sourced from PubChem (CID 2852336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).