7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide

C14H19BrN4O2 — CID 43710336

IUPAC7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H19BrN4O2/c15-9-7-11-12(19-14(21)18-11)8-10(9)17-13(20)5-3-1-2-4-6-16/h7-8H,1-6,16H2,(H,17,20)(H2,18,19,21)
InChIKeyKEBJZGSLBDNSCA-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.47
Rot. Bonds7

About 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide

7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide (PubChem CID 43710336) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide
PubChem CID43710336
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H19BrN4O2/c15-9-7-11-12(19-14(21)18-11)8-10(9)17-13(20)5-3-1-2-4-6-16/h7-8H,1-6,16H2,(H,17,20)(H2,18,19,21)
InChIKeyKEBJZGSLBDNSCA-UHFFFAOYSA-N
XLogP2.47
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide?
The IUPAC name of 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide (CID 43710336) is 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide?
The canonical SMILES for 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide is NCCCCCCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide?
The InChIKey is KEBJZGSLBDNSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c15-9-7-11-12(19-14(21)18-11)8-10(9)17-13(20)5-3-1-2-4-6-16/h7-8H,1-6,16H2,(H,17,20)(H2,18,19,21).
What are the key properties of 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide?
7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide has a molecular weight of 355.24 g/mol, XLogP of 2.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide is sourced from PubChem (CID 43710336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).