5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one

C12H13BrN4O — CID 113469936

IUPAC5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1cncc(Br)c1
InChIInChI=1S/C12H13BrN4O/c13-9-3-8(4-15-5-9)10-11(14)16-12(18)17(10)6-7-1-2-7/h3-5,7,10H,1-2,6H2,(H2,14,16,18)
InChIKeySIGNQZDEVSHWIW-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one

5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (PubChem CID 113469936) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
PubChem CID113469936
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
SMILESNC1=NC(=O)N(CC2CC2)C1c1cncc(Br)c1
InChIInChI=1S/C12H13BrN4O/c13-9-3-8(4-15-5-9)10-11(14)16-12(18)17(10)6-7-1-2-7/h3-5,7,10H,1-2,6H2,(H2,14,16,18)
InChIKeySIGNQZDEVSHWIW-UHFFFAOYSA-N
XLogP2.09
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-(5-bromo-3-pyridinyl)-3-propyl-4H-imidazol-2-one
CID 113469934
5-amino-3-(cyclopropylmethyl)-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79968318
5-amino-4-(3-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 79968106
5-amino-3-(cyclopropylmethyl)-4-(4-methylsulfanylphenyl)-4H-imidazol-2-one
CID 79967171
5-amino-4-(5-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 114867921
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643
5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 79967632
5-amino-3-(cyclopropylmethyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79985888
5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79971673
5-amino-3-(cyclopropylmethyl)-4-pentan-3-yl-4H-imidazol-2-one
CID 79985314
5-(5-bromo-3-pyridinyl)pyrazolidin-3-one
CID 77218999
2-(5-bromo-3-pyridinyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 177027260

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one (CID 113469936) is 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is NC1=NC(=O)N(CC2CC2)C1c1cncc(Br)c1.
What is the InChIKey of 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
The InChIKey is SIGNQZDEVSHWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-9-3-8(4-15-5-9)10-11(14)16-12(18)17(10)6-7-1-2-7/h3-5,7,10H,1-2,6H2,(H2,14,16,18).
What are the key properties of 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one?
5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one has a molecular weight of 309.17 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-bromo-3-pyridinyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one is sourced from PubChem (CID 113469936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).