2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C14H17BrN4O2 — CID 64686030

IUPAC2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESNC1(CC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CCCC1
InChIInChI=1S/C14H17BrN4O2/c15-8-5-10-11(19-13(21)18-10)6-9(8)17-12(20)7-14(16)3-1-2-4-14/h5-6H,1-4,7,16H2,(H,17,20)(H2,18,19,21)
InChIKeyBEPPGKGWOCWHNL-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.22
Rot. Bonds3

About 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 64686030) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID64686030
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESNC1(CC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CCCC1
InChIInChI=1S/C14H17BrN4O2/c15-8-5-10-11(19-13(21)18-10)6-9(8)17-12(20)7-14(16)3-1-2-4-14/h5-6H,1-4,7,16H2,(H,17,20)(H2,18,19,21)
InChIKeyBEPPGKGWOCWHNL-UHFFFAOYSA-N
XLogP2.22
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 64686030) is 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is NC1(CC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is BEPPGKGWOCWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c15-8-5-10-11(19-13(21)18-10)6-9(8)17-12(20)7-14(16)3-1-2-4-14/h5-6H,1-4,7,16H2,(H,17,20)(H2,18,19,21).
What are the key properties of 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 353.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 64686030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).