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

C16H14Cl2N4O — CID 118711437

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C16H13ClN4O.ClH/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);1H
InChIKeyWEJSTBSBCNNWFT-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.99
Rot. Bonds3

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

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride (PubChem CID 118711437) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
PubChem CID118711437
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C16H13ClN4O.ClH/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);1H
InChIKeyWEJSTBSBCNNWFT-UHFFFAOYSA-N
XLogP3.99
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.99
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-chlorobenzamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride (CID 118711437) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride is Cl.Nc1ncc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride?
The InChIKey is WEJSTBSBCNNWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O.ClH/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);1H.
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride has a molecular weight of 349.22 g/mol, XLogP of 3.99, 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-chlorobenzamide;hydrochloride is sourced from PubChem (CID 118711437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).