2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid

C15H12BrN3O2 — CID 119027105

IUPAC2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(Nc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C15H12BrN3O2/c16-10-5-7-11(8-6-10)17-15-18-12-3-1-2-4-13(12)19(15)9-14(20)21/h1-8H,9H2,(H,17,18)(H,20,21)
InChIKeyGEKFMYKRDPCORM-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.63
Rot. Bonds4

About 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid

2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid (PubChem CID 119027105) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
PubChem CID119027105
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(Nc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C15H12BrN3O2/c16-10-5-7-11(8-6-10)17-15-18-12-3-1-2-4-13(12)19(15)9-14(20)21/h1-8H,9H2,(H,17,18)(H,20,21)
InChIKeyGEKFMYKRDPCORM-UHFFFAOYSA-N
XLogP3.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
CID 2773162
2-[2-(1H-pyrrol-2-ylamino)benzimidazol-1-yl]acetic acid
CID 115144069
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
4-[[1-(2-cyclopentylethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 137378369

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid (CID 119027105) is 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(Nc2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid?
The InChIKey is GEKFMYKRDPCORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-10-5-7-11(8-6-10)17-15-18-12-3-1-2-4-13(12)19(15)9-14(20)21/h1-8H,9H2,(H,17,18)(H,20,21).
What are the key properties of 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid?
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid has a molecular weight of 346.18 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 119027105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).