1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide

C11H11BrN4O2 — CID 65464224

IUPAC1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1
InChIInChI=1S/C11H11BrN4O2/c12-5-3-7-8(16-10(18)15-7)4-6(5)14-9(17)11(13)1-2-11/h3-4H,1-2,13H2,(H,14,17)(H2,15,16,18)
InChIKeyBIGKJXFLEHRUGG-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.05
Rot. Bonds2

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

1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 65464224) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
PubChem CID65464224
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1
InChIInChI=1S/C11H11BrN4O2/c12-5-3-7-8(16-10(18)15-7)4-6(5)14-9(17)11(13)1-2-11/h3-4H,1-2,13H2,(H,14,17)(H2,15,16,18)
InChIKeyBIGKJXFLEHRUGG-UHFFFAOYSA-N
XLogP1.05
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide (CID 65464224) is 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide is NC1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1.
What is the InChIKey of 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is BIGKJXFLEHRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c12-5-3-7-8(16-10(18)15-7)4-6(5)14-9(17)11(13)1-2-11/h3-4H,1-2,13H2,(H,14,17)(H2,15,16,18).
What are the key properties of 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).