1-cycloheptylbenzimidazole-5-carboxylic acid

C15H18N2O2 — CID 3236987

IUPAC1-cycloheptylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2C1CCCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(19)11-7-8-14-13(9-11)16-10-17(14)12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,18,19)
InChIKeyRRDSXPQGOFYKPD-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.63
Rot. Bonds2

About 1-cycloheptylbenzimidazole-5-carboxylic acid

1-cycloheptylbenzimidazole-5-carboxylic acid (PubChem CID 3236987) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-cycloheptylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cycloheptylbenzimidazole-5-carboxylic acid
PubChem CID3236987
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-cycloheptylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2C1CCCCCC1
InChIInChI=1S/C15H18N2O2/c18-15(19)11-7-8-14-13(9-11)16-10-17(14)12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,18,19)
InChIKeyRRDSXPQGOFYKPD-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-cycloheptylbenzimidazole-5-carboxylic acid (CID 3236987) is 1-cycloheptylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cycloheptylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cycloheptylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2C1CCCCCC1.
What is the InChIKey of 1-cycloheptylbenzimidazole-5-carboxylic acid?
The InChIKey is RRDSXPQGOFYKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)11-7-8-14-13(9-11)16-10-17(14)12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H,18,19).
What are the key properties of 1-cycloheptylbenzimidazole-5-carboxylic acid?
1-cycloheptylbenzimidazole-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 3236987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).