1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid

C14H16N2O3 — CID 81432741

IUPAC1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccc(O)cc3[nH]2)CCCC1
InChIInChI=1S/C14H16N2O3/c17-9-3-4-10-11(7-9)16-12(15-10)8-14(13(18)19)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2,(H,15,16)(H,18,19)
InChIKeyRTVTVIDVGNBEJN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.46
Rot. Bonds3

About 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid

1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 81432741) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID81432741
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccc(O)cc3[nH]2)CCCC1
InChIInChI=1S/C14H16N2O3/c17-9-3-4-10-11(7-9)16-12(15-10)8-14(13(18)19)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2,(H,15,16)(H,18,19)
InChIKeyRTVTVIDVGNBEJN-UHFFFAOYSA-N
XLogP2.46
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 81432741) is 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2nc3ccc(O)cc3[nH]2)CCCC1.
What is the InChIKey of 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RTVTVIDVGNBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-9-3-4-10-11(7-9)16-12(15-10)8-14(13(18)19)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2,(H,15,16)(H,18,19).
What are the key properties of 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydroxy-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81432741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).