2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid

C12H14N2O2 — CID 165497083

IUPAC2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid
SMILESCn1cnc2ccc(C(C)(C)C(=O)O)cc21
InChIInChI=1S/C12H14N2O2/c1-12(2,11(15)16)8-4-5-9-10(6-8)14(3)7-13-9/h4-7H,1-3H3,(H,15,16)
InChIKeyAATOUNXKRKTLMK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.94
Rot. Bonds2

About 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid

2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid (PubChem CID 165497083) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid
PubChem CID165497083
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid
SMILESCn1cnc2ccc(C(C)(C)C(=O)O)cc21
InChIInChI=1S/C12H14N2O2/c1-12(2,11(15)16)8-4-5-9-10(6-8)14(3)7-13-9/h4-7H,1-3H3,(H,15,16)
InChIKeyAATOUNXKRKTLMK-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbenzimidazole-5-carboxamide
CID 21105052
2-methyl-2-(1-methylindol-5-yl)propanoic acid
CID 115114970
2-(3-methylbenzimidazol-5-yl)oxyacetic acid
CID 84673953
2-methyl-2-quinolin-7-ylpropanoic acid
CID 81223992
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
1-methyl-6-phenylbenzimidazole
CID 135028518
1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 138040516
2-methyl-2-[4-(2-methyltriazol-4-yl)phenyl]propanoic acid
CID 167867732
2,2-dimethylpropane;1-methylbenzimidazole
CID 167554382
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
N-[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]carbamoyl chloride
CID 115195194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid (CID 165497083) is 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid is Cn1cnc2ccc(C(C)(C)C(=O)O)cc21.
What is the InChIKey of 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid?
The InChIKey is AATOUNXKRKTLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,11(15)16)8-4-5-9-10(6-8)14(3)7-13-9/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid?
2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbenzimidazol-5-yl)propanoic acid is sourced from PubChem (CID 165497083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).