N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide

C16H12Br2N4O — CID 118711467

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3cc(Br)cc(Br)c3)cc2)[nH]1
InChIInChI=1S/C16H12Br2N4O/c17-11-5-10(6-12(18)7-11)15(23)21-13-3-1-9(2-4-13)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22)
InChIKeyDJCYUEJDHRDMPJ-UHFFFAOYSA-N
MW436.11 g/mol
LogP4.44
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide (PubChem CID 118711467) has the molecular formula C16H12Br2N4O and a molecular weight of 436.11 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
PubChem CID118711467
Molecular FormulaC16H12Br2N4O
Molecular Weight436.11 g/mol
Exact Mass433.94
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3cc(Br)cc(Br)c3)cc2)[nH]1
InChIInChI=1S/C16H12Br2N4O/c17-11-5-10(6-12(18)7-11)15(23)21-13-3-1-9(2-4-13)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22)
InChIKeyDJCYUEJDHRDMPJ-UHFFFAOYSA-N
XLogP4.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.11
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
CID 118711465
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
CID 162665607
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 118711458
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride
CID 118711440
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride
CID 162650698
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide (CID 118711467) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide is Nc1ncc(-c2ccc(NC(=O)c3cc(Br)cc(Br)c3)cc2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide?
The InChIKey is DJCYUEJDHRDMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4O/c17-11-5-10(6-12(18)7-11)15(23)21-13-3-1-9(2-4-13)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]-3,5-dibromobenzamide?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide has a molecular weight of 436.11 g/mol, XLogP of 4.44, 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]-3,5-dibromobenzamide is sourced from PubChem (CID 118711467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).