6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole

C13H15BrN2 — CID 64723934

IUPAC6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
SMILESBrc1ccc2nc(CC3CCCC3)[nH]c2c1
InChIInChI=1S/C13H15BrN2/c14-10-5-6-11-12(8-10)16-13(15-11)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyLOFNBUCVPBDWQS-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.06
Rot. Bonds2

About 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole

6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole (PubChem CID 64723934) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
PubChem CID64723934
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
SMILESBrc1ccc2nc(CC3CCCC3)[nH]c2c1
InChIInChI=1S/C13H15BrN2/c14-10-5-6-11-12(8-10)16-13(15-11)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyLOFNBUCVPBDWQS-UHFFFAOYSA-N
XLogP4.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole (CID 64723934) is 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole is Brc1ccc2nc(CC3CCCC3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole?
The InChIKey is LOFNBUCVPBDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-10-5-6-11-12(8-10)16-13(15-11)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,15,16).
What are the key properties of 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole?
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole has a molecular weight of 279.18 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole is sourced from PubChem (CID 64723934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).