N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride

C17H16ClFN4O — CID 162666933

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1F.Cl
InChIInChI=1S/C17H15FN4O.ClH/c1-10-2-3-12(8-14(10)18)16(23)21-13-6-4-11(5-7-13)15-9-20-17(19)22-15;/h2-9H,1H3,(H,21,23)(H3,19,20,22);1H
InChIKeyNSPBUUICWXDOPL-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.78
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride (PubChem CID 162666933) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride
PubChem CID162666933
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1F.Cl
InChIInChI=1S/C17H15FN4O.ClH/c1-10-2-3-12(8-14(10)18)16(23)21-13-6-4-11(5-7-13)15-9-20-17(19)22-15;/h2-9H,1H3,(H,21,23)(H3,19,20,22);1H
InChIKeyNSPBUUICWXDOPL-UHFFFAOYSA-N
XLogP3.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.78
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]-3-fluoro-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride (CID 162666933) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)Nc2ccc(-c3cnc(N)[nH]3)cc2)cc1F.Cl.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The InChIKey is NSPBUUICWXDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O.ClH/c1-10-2-3-12(8-14(10)18)16(23)21-13-6-4-11(5-7-13)15-9-20-17(19)22-15;/h2-9H,1H3,(H,21,23)(H3,19,20,22);1H.
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-fluoro-4-methylbenzamide;hydrochloride has a molecular weight of 346.79 g/mol, XLogP of 3.78, 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-fluoro-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 162666933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).