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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Related Compounds

N-(1H-benzimidazol-2-yl)-4-chlorobenzamide
CID 2094705
(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714571
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-3-pyridin-2-yl-propionamide
CID 9800162
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-propionamide
CID 10270424
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide
CID 44448747
N-(4chlorophenethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 2098715
N-[4-(4-Chlorophenyl)-1h-Imidazol-2-Yl]-2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}benzamide
CID 118987004
Azole, 20
CID 11517747
N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-4-(1H-imidazol-2-yl)-benzamide
CID 11442772
3-[[4-[4-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]benzamide
CID 44448748
2-chloro-N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 18129604
4-chloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 884414

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).