N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride

C16H13Cl3N4O — CID 118711456

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)[nH]1
InChIInChI=1S/C16H12Cl2N4O.ClH/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);1H
InChIKeyLSMKFVKBZHLARJ-UHFFFAOYSA-N
MW383.67 g/mol
LogP4.64
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride (PubChem CID 118711456) has the molecular formula C16H13Cl3N4O and a molecular weight of 383.67 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride
PubChem CID118711456
Molecular FormulaC16H13Cl3N4O
Molecular Weight383.67 g/mol
Exact Mass382.02
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)[nH]1
InChIInChI=1S/C16H12Cl2N4O.ClH/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);1H
InChIKeyLSMKFVKBZHLARJ-UHFFFAOYSA-N
XLogP4.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 54.64
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]-2,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride (CID 118711456) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride is Cl.Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride?
The InChIKey is LSMKFVKBZHLARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O.ClH/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);1H.
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,4-dichlorobenzamide;hydrochloride has a molecular weight of 383.67 g/mol, XLogP of 4.64, 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]-2,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 118711456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).