N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide

C16H13BrN4O — CID 118711447

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[nH]1
InChIInChI=1S/C16H13BrN4O/c17-12-5-1-11(2-6-12)15(22)20-13-7-3-10(4-8-13)14-9-19-16(18)21-14/h1-9H,(H,20,22)(H3,18,19,21)
InChIKeyRPOCSMNLZNPZHV-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.67
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide (PubChem CID 118711447) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide
PubChem CID118711447
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[nH]1
InChIInChI=1S/C16H13BrN4O/c17-12-5-1-11(2-6-12)15(22)20-13-7-3-10(4-8-13)14-9-19-16(18)21-14/h1-9H,(H,20,22)(H3,18,19,21)
InChIKeyRPOCSMNLZNPZHV-UHFFFAOYSA-N
XLogP3.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide (CID 118711447) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide is Nc1ncc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide?
The InChIKey is RPOCSMNLZNPZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c17-12-5-1-11(2-6-12)15(22)20-13-7-3-10(4-8-13)14-9-19-16(18)21-14/h1-9H,(H,20,22)(H3,18,19,21).
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide has a molecular weight of 357.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromobenzamide is sourced from PubChem (CID 118711447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).