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

C14H15BrN2O2 — CID 54920062

IUPAC1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccc(Br)cc3[nH]2)CCCC1
InChIInChI=1S/C14H15BrN2O2/c15-9-3-4-10-11(7-9)17-12(16-10)8-14(13(18)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyVRDUXCSFOIBPGW-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.51
Rot. Bonds3

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

1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 54920062) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID54920062
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nc3ccc(Br)cc3[nH]2)CCCC1
InChIInChI=1S/C14H15BrN2O2/c15-9-3-4-10-11(7-9)17-12(16-10)8-14(13(18)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyVRDUXCSFOIBPGW-UHFFFAOYSA-N
XLogP3.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 54920062) is 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2nc3ccc(Br)cc3[nH]2)CCCC1.
What is the InChIKey of 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is VRDUXCSFOIBPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-9-3-4-10-11(7-9)17-12(16-10)8-14(13(18)19)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 323.19 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54920062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).