2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid

C17H26N2O2 — CID 114459465

IUPAC2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid
SMILESCn1c(CC2CCCCCC2)nc2c1CCC(C(=O)O)C2
InChIInChI=1S/C17H26N2O2/c1-19-15-9-8-13(17(20)21)11-14(15)18-16(19)10-12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeyQPQWCZOXUZZUFO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.12
Rot. Bonds3

About 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid

2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid (PubChem CID 114459465) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid
PubChem CID114459465
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid
SMILESCn1c(CC2CCCCCC2)nc2c1CCC(C(=O)O)C2
InChIInChI=1S/C17H26N2O2/c1-19-15-9-8-13(17(20)21)11-14(15)18-16(19)10-12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3,(H,20,21)
InChIKeyQPQWCZOXUZZUFO-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid (CID 114459465) is 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid is Cn1c(CC2CCCCCC2)nc2c1CCC(C(=O)O)C2.
What is the InChIKey of 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid?
The InChIKey is QPQWCZOXUZZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-15-9-8-13(17(20)21)11-14(15)18-16(19)10-12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3,(H,20,21).
What are the key properties of 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid?
2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid has a molecular weight of 290.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylic acid is sourced from PubChem (CID 114459465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).