N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene

C36H37FN4O2 — CID 142812885

IUPACN-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene
SMILESC=C(C)F.CC=C(C)C.Cn1c(-c2ccc(NC(=O)c3ccccc3)cc2)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C28H22N4O2.C5H10.C3H5F/c1-32-25-17-16-23(30-28(34)21-10-6-3-7-11-21)18-24(25)31-26(32)19-12-14-22(15-13-19)29-27(33)20-8-4-2-5-9-20;1-4-5(2)3;1-3(2)4/h2-18H,1H3,(H,29,33)(H,30,34);4H,1-3H3;1H2,2H3
InChIKeyIJOYHKRUENATRG-UHFFFAOYSA-N
MW576.72 g/mol
LogP9.21
Rot. Bonds5

About N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene

N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene (PubChem CID 142812885) has the molecular formula C36H37FN4O2 and a molecular weight of 576.72 g/mol. Its IUPAC name is N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene.

Molecular Properties

Compound NameN-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene
PubChem CID142812885
Molecular FormulaC36H37FN4O2
Molecular Weight576.72 g/mol
Exact Mass576.29
IUPAC NameN-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene
SMILESC=C(C)F.CC=C(C)C.Cn1c(-c2ccc(NC(=O)c3ccccc3)cc2)nc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C28H22N4O2.C5H10.C3H5F/c1-32-25-17-16-23(30-28(34)21-10-6-3-7-11-21)18-24(25)31-26(32)19-12-14-22(15-13-19)29-27(33)20-8-4-2-5-9-20;1-4-5(2)3;1-3(2)4/h2-18H,1H3,(H,29,33)(H,30,34);4H,1-3H3;1H2,2H3
InChIKeyIJOYHKRUENATRG-UHFFFAOYSA-N
XLogP9.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.72
LogP ≤ 59.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene?
The IUPAC name of N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene (CID 142812885) is N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene.
What is the SMILES notation for N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene?
The canonical SMILES for N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene is C=C(C)F.CC=C(C)C.Cn1c(-c2ccc(NC(=O)c3ccccc3)cc2)nc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene?
The InChIKey is IJOYHKRUENATRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2.C5H10.C3H5F/c1-32-25-17-16-23(30-28(34)21-10-6-3-7-11-21)18-24(25)31-26(32)19-12-14-22(15-13-19)29-27(33)20-8-4-2-5-9-20;1-4-5(2)3;1-3(2)4/h2-18H,1H3,(H,29,33)(H,30,34);4H,1-3H3;1H2,2H3.
What are the key properties of N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene?
N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene has a molecular weight of 576.72 g/mol, XLogP of 9.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene is sourced from PubChem (CID 142812885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).