2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid

C10H9ClN2O2 — CID 83849999

IUPAC2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
SMILESCn1c(CC(=O)O)nc2ccc(Cl)cc21
InChIInChI=1S/C10H9ClN2O2/c1-13-8-4-6(11)2-3-7(8)12-9(13)5-10(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWECFAYNCJWXRSK-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.85
Rot. Bonds2

About 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid

2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid (PubChem CID 83849999) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
PubChem CID83849999
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
SMILESCn1c(CC(=O)O)nc2ccc(Cl)cc21
InChIInChI=1S/C10H9ClN2O2/c1-13-8-4-6(11)2-3-7(8)12-9(13)5-10(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWECFAYNCJWXRSK-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18733884
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid
CID 90098433
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
CID 119906378
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid (CID 83849999) is 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid is Cn1c(CC(=O)O)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid?
The InChIKey is WECFAYNCJWXRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13-8-4-6(11)2-3-7(8)12-9(13)5-10(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid?
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid has a molecular weight of 224.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 83849999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).