2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid

C17H20N2O2 — CID 63892629

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(CC2CC3CCC2C3)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C17H20N2O2/c1-19-15-5-4-12(17(20)21)8-14(15)18-16(19)9-13-7-10-2-3-11(13)6-10/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,20,21)
InChIKeyOZCXFVWSPLEHBV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid

2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 63892629) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID63892629
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(CC2CC3CCC2C3)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C17H20N2O2/c1-19-15-5-4-12(17(20)21)8-14(15)18-16(19)9-13-7-10-2-3-11(13)6-10/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,20,21)
InChIKeyOZCXFVWSPLEHBV-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
2-ethyl-1-(1-methylpyrrolidin-3-yl)benzimidazole-5-carboxylic acid
CID 61465273
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
CID 138016864
1-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzimidazole-5-carboxylic acid
CID 134705630
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-[(3R,4S)-1-(3,3-dimethylbutanoyl)-3-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 125418260
2-[3-(ethylcarbamoyl)pyrrolidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 134704013
2-methyl-1-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549180

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid (CID 63892629) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid is Cn1c(CC2CC3CCC2C3)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is OZCXFVWSPLEHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19-15-5-4-12(17(20)21)8-14(15)18-16(19)9-13-7-10-2-3-11(13)6-10/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,20,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid?
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 63892629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).