2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid

C14H20N2O2 — CID 82383373

IUPAC2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCc2ncn(C3CCCC3C(=O)O)c2C1
InChIInChI=1S/C14H20N2O2/c1-9-5-6-11-13(7-9)16(8-15-11)12-4-2-3-10(12)14(17)18/h8-10,12H,2-7H2,1H3,(H,17,18)
InChIKeySMVMONBXUQAPDS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.43
Rot. Bonds2

About 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid

2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 82383373) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID82383373
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CCc2ncn(C3CCCC3C(=O)O)c2C1
InChIInChI=1S/C14H20N2O2/c1-9-5-6-11-13(7-9)16(8-15-11)12-4-2-3-10(12)14(17)18/h8-10,12H,2-7H2,1H3,(H,17,18)
InChIKeySMVMONBXUQAPDS-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid (CID 82383373) is 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid is CC1CCc2ncn(C3CCCC3C(=O)O)c2C1.
What is the InChIKey of 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is SMVMONBXUQAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-11-13(7-9)16(8-15-11)12-4-2-3-10(12)14(17)18/h8-10,12H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid?
2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82383373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).