1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid

C11H14N2O2 — CID 174947124

IUPAC1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid
SMILESCc1ccc2c(c1)N(C)C(C(=O)O)N2C
InChIInChI=1S/C11H14N2O2/c1-7-4-5-8-9(6-7)13(3)10(11(14)15)12(8)2/h4-6,10H,1-3H3,(H,14,15)
InChIKeyJNMXDRRYBMFMHI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.29
Rot. Bonds1

About 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid

1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid (PubChem CID 174947124) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid
PubChem CID174947124
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid
SMILESCc1ccc2c(c1)N(C)C(C(=O)O)N2C
InChIInChI=1S/C11H14N2O2/c1-7-4-5-8-9(6-7)13(3)10(11(14)15)12(8)2/h4-6,10H,1-3H3,(H,14,15)
InChIKeyJNMXDRRYBMFMHI-UHFFFAOYSA-N
XLogP1.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-ethyl-5-methyl-2,3-dihydroindole-2-carboxylic acid
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5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
2-(1,7-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)acetic acid
CID 84627799
ethane;1,4,6-trimethyl-2,3-dihydroquinoxaline
CID 91027227
5-methyl-2-(2-methylazetidin-1-yl)benzoic acid
CID 79686311
methyl 1,6-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 115031360
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid
CID 79884479
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
2-(1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)ethanamine
CID 84623417
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84627682

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid?
The IUPAC name of 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid (CID 174947124) is 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid is Cc1ccc2c(c1)N(C)C(C(=O)O)N2C.
What is the InChIKey of 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid?
The InChIKey is JNMXDRRYBMFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-4-5-8-9(6-7)13(3)10(11(14)15)12(8)2/h4-6,10H,1-3H3,(H,14,15).
What are the key properties of 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid?
1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 174947124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).