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

C16H12BrFN4O — CID 118711459

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)[nH]1
InChIInChI=1S/C16H12BrFN4O/c17-10-3-6-12(13(18)7-10)15(23)21-11-4-1-9(2-5-11)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22)
InChIKeyWKNIDWKJWXSZLC-UHFFFAOYSA-N
MW375.20 g/mol
LogP3.81
Rot. Bonds3

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

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide (PubChem CID 118711459) has the molecular formula C16H12BrFN4O and a molecular weight of 375.20 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide
PubChem CID118711459
Molecular FormulaC16H12BrFN4O
Molecular Weight375.20 g/mol
Exact Mass374.02
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)[nH]1
InChIInChI=1S/C16H12BrFN4O/c17-10-3-6-12(13(18)7-10)15(23)21-11-4-1-9(2-5-11)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22)
InChIKeyWKNIDWKJWXSZLC-UHFFFAOYSA-N
XLogP3.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 53.81
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-bromo-2-fluorobenzamide?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide (CID 118711459) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide is Nc1ncc(-c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide?
The InChIKey is WKNIDWKJWXSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O/c17-10-3-6-12(13(18)7-10)15(23)21-11-4-1-9(2-5-11)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22).
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide has a molecular weight of 375.20 g/mol, XLogP of 3.81, 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-bromo-2-fluorobenzamide is sourced from PubChem (CID 118711459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).